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Synthesis, theoretical, and experimental study of radical scavenging activity of 3-pyridinol containing trans -resveratrol analogs
AbstractIn the search of more powerful and versatile antioxidant agents for biomedical applications, a structural modification of the resveratrol scaffold was carried out. Sixtrans-resveratrol (TR) analogs with atrans-stilbazole framework were obtained. Quantum calculations based on the density functional theory (DFT) were used to study the relationship between the structure of synthesized compounds and antioxidant activity. Calculations have shown that derivatives2b,2c, and2e should exhibit higher antioxidant activity than TR, whereas2a,2d, and3a are less effective antioxidants. The obtained data correlate well with the r...
Source: Medicinal Chemistry Research - February 22, 2018 Category: Chemistry Source Type: research

Design, synthesis and evaluation of chalcones as H1N1 Neuraminidase inhibitors
AbstractA series of chalcone derivatives (1a–2i) were designed based on isoliquiritigenin (the most active natural chalcone non-competitive neuraminidase (NA) inhibitor). Molecular modeling studies revealed that isoliquiritigenin and its designed analogs occupied 430-loop cavity of NA and interacted favorably with catalytic site residues. The favorable derivatives were synthesized and evaluated for cytotoxicity and for inhibition of cytopathic effect by H1N1 virus. The inhibitory effect was further quantified by heamagglutinition (HA) assay, H1N1-NA inhibition, and kinetics of inhibition. The HA assay showed compound...
Source: Medicinal Chemistry Research - February 22, 2018 Category: Chemistry Source Type: research

Synthesis, biological evaluation and docking study of some novel isoxazole clubbed 1,3,4-oxadiazoles derivatives
AbstractA novel series of isoxazole clubbed 1,3,4-oxadiazole derivatives have been synthesized by reaction of 5-(3-fluoro-4-methoxyphenyl) isoxazole-3-carbohydrazide with different substituted benzoic/pyridinyl/indolyl acids in phosphorous oxychloride, characterized by IR,1H NMR,13C NMR, MS analytical data and evaluated for their antimicrobial as well as antitubercular activity. Antibacterial activity of compounds5e,5g,5h,5j and5l were found to be good againstE. coli, P. aeruginosa, S. aureus andS. pyogenes as compared to standard Ampicillin. Compound5b and5i were found to be active antitubercular agents againstM. tubercul...
Source: Medicinal Chemistry Research - February 22, 2018 Category: Chemistry Source Type: research

Design, synthesis and neuroprotective activities of novel cinnamide derivatives containing benzylpiperazine moiety
AbstractA new series of cinnamide derivatives6a–l were synthesized by the reaction of acyl chlorides with various substituted benzylpiperazines. The structures were characterized by1H NMR,13C NMR, and HRMS. The potential neuroprotective activities of cinnamide analogs were evaluated in differentiated rat pheochromocytoma cells (PC12 cells) and in mice subjected to acute cerebral ischemia. Among the series,6a,6b, and6c, featuring a 1,3-benzodioxole moiety, showed potent neuroprotection both in vivo and in vitro. The three compounds were selected and further studied to determine their mechanism of action. MTT assay, Ho...
Source: Medicinal Chemistry Research - February 22, 2018 Category: Chemistry Source Type: research

Sugar moiety has a synergistic effect on hydroxylated xanthone for better antioxidant activity of mangiferin
AbstractThe structure –antioxidant relationship of mangiferin was elucidated by means of quantum chemistry calculations. The density functional theory level of theory was used for antioxidant pharmacophore selection. According to the obtained geometry by using the DFT/B3LYP/6-31+G(d,p) values, HOMO, ionization potentia l, bond dissociation energy, stabilization energy, and spin density distribution, the catechol moiety is more important for the antioxidant capacity than the resorcinol moiety. However, the sugar is a strong electron-withdrawing group due to its hydrogen bond formation with the resorcinol moiety of xan...
Source: Medicinal Chemistry Research - February 19, 2018 Category: Chemistry Source Type: research

Synthesis and biological evaluation of N -alkyl-1,4-dihydroquinoline prodrugs of scutellarin methyl ester as neuroprotective agents
AbstractA series ofN-alkyl-1,4-dihydroquinoline prodrugs of scutellarin methyl ester have been synthesized (4a –4f). Compared to the parent compound scutellarin, we demonstrated that these prepared compounds had higher water solubility, more appropriate logP and better stability. Importantly, compounds4a –4e showed improved neuroprotective activity against the H2O2-induced cell death in PC12 cells, and higher cell permeability (Papp AP –BL) and lower efflux ratio were observed for compounds4d and4e. The optimized compound4d was further evaluated by cerebral ischemia/reperfusion in the middle cerebral arte...
Source: Medicinal Chemistry Research - February 15, 2018 Category: Chemistry Source Type: research

Cytotoxic and anti-inflammatory compounds from Red Sea grass Thalassodendron ciliatum
AbstractChemical investigation of the less polar fraction methylene dichloride –methanol extract of the Red Sea grassThalassodendron ciliatum led to the isolation of a new phytoceramide molecular species TCC-1, along with four known compounds: 7 β-hydroxy cholesterol (10), 7 β-hydroxysitosterol (11), stigmasterol glucoside (12), and β-sitosterol glucoside (13). Phytosphingosines with 2-hydroxy fatty acid residues constituted the phytoceramide molecular species TCC-1. Further purification of TCC-1 afforded two new phytoceramides: TCC-1-5 (5) and TCC-1-7 (7) as well as the known ceramide TCC-1-6 (6). All...
Source: Medicinal Chemistry Research - February 13, 2018 Category: Chemistry Source Type: research

Comparative molecular field analysis and molecular dynamics studies of the dopamine D 2 receptor antagonists without a protonatable nitrogen atom
AbstractThe dopaminergic hypothesis of schizophrenia is the main concept explaining the direct reasons of schizophrenia and the effectiveness of current antipsychotics. All antipsychotics present on the market are potent dopamine D2 receptor antagonists or partial agonists. In this work we investigate a series of dopamine D2 receptor antagonists which do not fulfill the criteria of the classical pharmacophore model as they do not possess a protonatable nitrogen atom necessary to interact with the conserved Asp(3.32). Such compounds are interesting, inter alia, due to possible better pharmacokinetic profile when compared to...
Source: Medicinal Chemistry Research - February 13, 2018 Category: Chemistry Source Type: research

CoMFA and CoMSIA-based designing of resveratrol derivatives as amyloid-beta aggregation inhibitors against Alzheimer's disease
AbstractResveratrol (3,4 ′,5-trihydroxystilbene) has been reported to promote degradation of intracellular amyloid-beta (Aβ) aggregates in Alzheimer’s disease (AD). In the present paper, we report comparative molecular field analysis (CoMFA)-based and comparative molecular similarity indices analysis (CoMSIA)-based thr ee-dimensional quantitative structure–activity relationship (3D-QSAR) study of 30 resveratrol derivatives. The best predictive CoMFA model with correlation coefficients (r2) of 0.905 and 0.908 for training and test sets, respectively, and cross-validated correlation coefficient (q2) of...
Source: Medicinal Chemistry Research - February 7, 2018 Category: Chemistry Source Type: research

Synthesis and pharmacological evaluation of combretastatin-A4 analogs of pyrazoline and pyridine derivatives as anticancer, anti-inflammatory and antioxidant agents
AbstractThree category ofN1-phenyl pyrazoline (5a–e),N1-phenyl-sulfonyl pyrazoline (6a–e), and pyridine analogs (8a–d) of combretastatin-A4 were synthesized. The structures of compounds were verified by spectroscopic techniques. All the compounds were screened for their anticancer activity against MCF-7 cell line, antioxidant (DPPH, NO, SOR and H2O2), and anti-inflammatory activity while compounds (8a–d) additionally tested against K562 cell line. Compounds8a and8b showed substantial anticancer activity against MCF-7 cell line (GI50 = 5.59 and 11.70 µM), although not compa...
Source: Medicinal Chemistry Research - February 7, 2018 Category: Chemistry Source Type: research

Synthesis and cytotoxicity studies of newly designed benzyl-hydroquinone derivatives
AbstractA series of new benzyl-substituted hydroquinones has been prepared by short and flexible routes. Such molecules are simplified analogs of bioactive natural terpenes. Preliminary studies have established, for some of these derivatives, promising cytotoxicity data against human carcinoma cancer cell lines.Graphical abstract (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - February 7, 2018 Category: Chemistry Source Type: research

2-Acetyl-4-aminoresorcinol derivatives: synthesis, antioxidant activity and molecular docking studies
In this study, we synthesized new phenolic compounds that have the potential to serve as antioxidants and slow the effects of free radicals and oxidizing agents, which is beneficial for human health. Three resorcinol derivatives (new amide compounds) were generated by acetylation, nitration, and reduction. The structures of the products were determined by spectroscopic methods. The antioxidant activities of the new compounds were evaluated in vitro by redox reactions with the free radicals of the diammonium salt of 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS+●) and 1,1-diphenyl-2-picrylhydrazyl (DPPH●)....
Source: Medicinal Chemistry Research - February 6, 2018 Category: Chemistry Source Type: research

Synthesis, molecular docking, ctDNA interaction, DFT calculation and evaluation of antiproliferative and anti- Toxoplasma gondii activities of 2,4-diaminotriazine-thiazole derivatives
AbstractSynthesis, characterization, and investigation of antiproliferative activities against human cancer cell lines (MV4-11, MCF-7, and A549) andToxoplasma gondii parasite of twelve novel 2,4-diaminotriazine-thiazoles are presented. The toxicity of the compounds was studied at three different cell types, normal mouse fibroblast (Balb/3T3), mouse fibroblast (L929), and human VERO cells. The structures of novel compounds were determined using1H and13C NMR, FAB(+)-MS, and elemental analyses. Among the derivatives,4a–k showed very high activity against MV4-11 cell line with IC50 values between 1.13 and 3.21  &m...
Source: Medicinal Chemistry Research - February 6, 2018 Category: Chemistry Source Type: research

Design, synthesis, evaluation and molecular modeling studies of some novel N -substituted piperidine-3-carboxylic acid derivatives as potential anticonvulsants
AbstractNovel Schiff bases of 1-(2-Aminoethyl)piperidine-3-carboxylic acid were synthesized, characterized and screened for anticonvulsant activity. Compounds were evaluated for in vitro blood –brain barrier (BBB) permeability by parallel artificial membrane permeability BBB assay (PAMPA-BBB). Compounds5d, 5f, 5j, 5l, 5m, 5n, 5w, 5x and5y elicited considerable in vitro permeability across BBB and further screened for in vivo anticonvulsant activity by sc-PTZ and DMCM-induced seizure models. The outcome of the in vivo models suggested that5d, 5w, and5y were most potent amongst the synthesized compounds. The neurotoxic...
Source: Medicinal Chemistry Research - February 6, 2018 Category: Chemistry Source Type: research

Synthesis, characterization, computational and biological study of novel azabenzo[a]phenothiazine and azabenzo[b]phenoxazine heterocycles as potential antibiotic agent
AbstractTwo angular phenothiazines and one angular phenoxazine were successfully synthesized via anhydrous base condensation reaction of 2,6-diamino-4-chloropyrimidine-5-thiol, with 7-chloro-5,8-quinolinequinone,2-aminothiophenol and 2-aminophenol, respectively. Condensation reaction between 2-6-diamino-4-chloropyrimidine-5-thiol and 7-chloro-5,8-quinolinequinone in the presence of anhydrous sodium carbonate yielded 10-amino-8-chloro-1,9,11-triaza-5H-benze[a]phenothiazine-5-one, 1-aza-5H-benzo[a]phenothiazine-5-one and 1-aza-5H-benzo[a]phenoxazine-5-one were produced with anhydrous basic condensation between 7-chloro-5,8-q...
Source: Medicinal Chemistry Research - February 5, 2018 Category: Chemistry Source Type: research

Design, synthesis and biological evaluation of novel furoxan-based coumarin derivatives as antitumor agents
AbstractIn order to find new anticancer drugs, a series of novel furoxan-based coumarin derivatives (10a–k) were synthesized and evaluated for their antiproliferative activities in vitro. All compounds displayed more potent inhibition on human cervical cancer HeLa cell proliferation than coumarin-3-carboxylic acid, and compounds10b, 10c, 10f, 10h, and10i with IC50 values ranging from 0.88 to 5.95  μM were even stronger than doxorubicin (IC50 = 10.21 μM). The further study showed that compound10i exerted the highest antiproliferative activity (IC50 = 0.60 μM) a...
Source: Medicinal Chemistry Research - February 5, 2018 Category: Chemistry Source Type: research

Synthesis and antibacterial activity of new lactone 1,4-dihydroquinoline derivatives
AbstractIn this work, a series of lactone 1,4-dihydroquinoline derivatives4 were efficiently synthesized and characterized by1H and13C NMR. The synthesized compounds were evaluated for their in vitro antibacterial activity against the bacterial strainsPorphyromonas gingivalis,Prevotella nigrescens,Streptococcus mitis, andStreptococcus sanguinis and againstMycobacterium tuberculosis, Mycobacterium avium andMycobacterium kansasii. The results revealed that the evaluated compounds were more active against Gram negative bacteria. Compounds4ba,4bb,4bg,4bi,4bn,4ch, and4ci displayed moderate antibacterial activity againstP. gingi...
Source: Medicinal Chemistry Research - February 2, 2018 Category: Chemistry Source Type: research

Cytotoxic effect, antitumour activity and toxicity of organotin derivatives with ortho- or para-hydroxy-benzoic acids
AbstractThe cytotoxic and antitumour activities of five organotin complexes (1–5) witho-hydroxy-benzoic orp-hydroxy-benzoic acids were evaluated in a series of in vitro and in vivo experiments. All complexes exhibited strong cytotoxic activity against all cancer cells lines, whereas complexes1,2 and4 induced apoptosis at significantly lower doses than complexes3 and5. Human cancer cells treated with increasing concentrations of complexes1,2 and4 gradually lost their ability to form colonies. Only complexes1 and2 inhibited colony formation efficiency in rat leiomyosarcoma cells. Histopathology of liver and kidney show...
Source: Medicinal Chemistry Research - February 2, 2018 Category: Chemistry Source Type: research

Bis-(5-substituted-2-thiono-1,3,5-thiadiazinan-3-yl) butane as a scaffold of anti-proliferative activity, blended by a multicomponent process
AbstractIn the search for promising anti-proliferative agents that might be helpful in the treatment of cancer effectively, several compounds in a series (4b–j) comprising 1,4-bis (5-substituted -2-thiono-2H-tetrahydro-1,3,5-thiadiazin-3-yl) butane derivatives have been isolated. The aimed two privileged thiadiazinane pharmacophores were symmetrically assembled in one molecular frame via 1,4-diaminobutane; the endogenous compound produced by the breakdown of some amino acids that ’s known as putrescine. The thiadiazinane rings bearing variable substituents at N-5 as well. The structure of the new derivatives, w...
Source: Medicinal Chemistry Research - January 30, 2018 Category: Chemistry Source Type: research

Bioactive secondary metabolites from new terrestrial Streptomyces sp. TN82 strain: Isolation, structure elucidation and biological activity
AbstractAn actinomycete strain designated TN82 was isolated from Tunisian Sahara soil and selected for its interesting antimicrobial activity against Gram positive and Gram negative bacteria and fungi. Based on the results of cultural characteristic, the 16S rRNA gene nucleotide sequence (1434 bp, accession n ° LT608133) and the phylogenetic analysis, this new isolate was assigned asStreptomyces sp. TN82 strain. Two active compounds, 3-phenylpyrazin-2(1H)-one (1) and 3-O-methylviridicatin (2), described for the first time as natural product and bacterial compound respectively, together with four known bacterial metabol...
Source: Medicinal Chemistry Research - January 18, 2018 Category: Chemistry Source Type: research

Atom based linear index descriptors in QSAR-machine learning classifiers for the prediction of ubiquitin-proteasome pathway activity
This report showed the use of the atom-based linear index together with different classic and machine learning classification techniques in a QSAR (quantitative structure-activity relationship) study. A PubChem BioAssay DataSet composed by 705 compounds with inhibitory (258 chemicals) and non-inhibitory (447 compounds) activity against the ubiquitin-proteasome pathway were used. The classification models were developed using the linear discriminant analysis, support vector machine, Bayesian networks, k-nearest neighbor, and random forest techniques. In this sense, all the QSAR models show accuracies above 85% in the traini...
Source: Medicinal Chemistry Research - January 17, 2018 Category: Chemistry Source Type: research

The semi-synthetic molecule [4 ″,5″] dihydro-obovatin isolated from Tephrosia Toxicaria pers reduces zymosan-induced temporomandibular joint inflammatory hypernociception in rats
AbstractArthritis possesses inflammatory components and flavonoids of well-known structures exert anti-inflammatory activity. Here, we aim to evaluate the effects of [4 ″,5″] dihydro-obovatin and three structurally-defined flavonoids fromTephrosia toxicaria Pers roots on the zymosan-induced temporomandibular joint inflammatory hypernociception in rats as well as their toxicity. Rats were pretreated with the flavonoids (1 and 10  mg/kg) and [4″,5″] dihydro-obovatin (0.1 and 1.0 mg/kg) 1 h before intra-articular zymosan injection (2 mg, 40 μL). Von Frey test was u...
Source: Medicinal Chemistry Research - January 16, 2018 Category: Chemistry Source Type: research

Thiobarbiturates as potential antifungal agents to control human infections caused by Candida and Cryptococcus species
AbstractHospitalized patients can suffer fromCandida andCrytptococcus infections, aggravating underlying health conditions. Due to the development of drug-resistant microorganisms, we report here on the potential of some arylidene-thiobarbiturate to control fiveCandida spp. and oneCryptococcus species of medical interest. Initially, a bismuth nitrate catalyzed Knoevenagel condensation with thiobarbituric acid and aromatic aldehydes was developed. This new procedure generated seven new and thirteen known arylidene-thiobarbiturate derivatives (1–20) with excellent yields (81 –95%), with a reaction time within 20&...
Source: Medicinal Chemistry Research - January 8, 2018 Category: Chemistry Source Type: research

Effects of lipophilicity, protecting group and stereochemistry on the antimalarial activity of carbohydrate-derived thiochromans
AbstractA series of novel carbohydrate-derived thiochromans has been successfully synthesized in order to investigate the influence of alkyl substituents on the aromatic ring of the thiophenol moiety in addition to the effect of protecting groups and stereochemistry on the sugar component of the target molecules. Results from the evaluation of the thiochromans for their antimalarial activity against the chloroquine-sensitive (3D7) strain ofPlasmodium falciparum suggest that the presence of short chain alkyl substituents, a benzyl ether protecting group and equatorial orientation of the C-4 substituent on the sugar moiety a...
Source: Medicinal Chemistry Research - January 3, 2018 Category: Chemistry Source Type: research

Anti-inflammatory of pyrrolizidine alkaloids from Heliotropium digynum
AbstractOne new and six known pyrrolizidine alkaloids (1 –7) were isolated from the 70% ethanol extract of the aerial parts ofHeliotropium digynum (Forssk.) C. Chr. The chemical structure of the new compound, 7-Angeloylsincamidine N-Oxide(4) was determined by extensive 1D and 2D NMR spectroscopic analysis and HRESIMS. The absolute configuration of4 was elucidated by comparing the experimental and electronic circular dichroism spectra. The anti-inflammatory activity of the ethanolic extract and compounds1,2,4, and6 were evaluated against the Nitric oxide production in lipopolysaccharide induced murine macrophages RAW ...
Source: Medicinal Chemistry Research - January 3, 2018 Category: Chemistry Source Type: research

Synthesis and antimicrobial activity of some heterocyclic compounds bearing benzimidazole and pyrazoline motifs
AbstractA series of 1-(3-(1H-benzoimidazol-2-yl)-5-aryl-4-5dihydro-1H-pyrazol-1-yl)-2-(napthalene-1-yloxy)ethanones (5a–l) are synthesized and evaluated their antimicrobial activity against gram positive (S. aureus and S. pyogenes), gram negative bacteria (E. coli and P. aeruginosa), and strains of fungi (C. albicans, A. niger, andA. clavatus). Compounds were characterized by spectroscopic techniques such as1H NMR,13C NMR, IR, and mass spectroscopy. The newly synthesized compounds5b,5i and5j, 5k showed significant antimicrobial activity against tested microorganisms.Graphical abstract (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - January 1, 2018 Category: Chemistry Source Type: research

Isolation, purification and identification of antioxidants from Lepidium latifolium extracts
In this study, we found that the ethyl acetate soluble fraction ofL. latifolium was a rich source of antioxidant, resulting from its high total phenolic content. To determine the antioxidant components of the ethyl acetate fraction, a bioassay-guided fractionation approach using 1,1-diphenyl-2-picrylhydrazyl, 2,2 ′-azinobis-(3-ethylbenzthiazoline-6-sulfonate), and ferric reducing antioxidant power assays were conducted. Nine compounds were isolated and their structures were identified by MS and NMR spectral data and comparison to reported data. They are Quercetin-3-O-β-d-sophoroside-7-O- α-l-rhamnoside (1)...
Source: Medicinal Chemistry Research - January 1, 2018 Category: Chemistry Source Type: research

Antinociceptive property of vinyl sulfides in spite of their weak antioxidant activity
AbstractVinyl sulfides (a–c), a new class of organosulfur compounds, were screened for antioxidant and antinociceptive activities. In view of this, in vitro antioxidant effect was investigated through the determination of the thiobarbituric acid reactive substances and protein carbonyl levels in rat brain homogenate. Considering the results obtained in vitro, antinociceptive activity of vinyl sulfides (a–c) (5 –50 mg/kg, intragastrically) was investigated in a model of nociception induced by glutamate (20 μmol/paw, 20 μl, intraplantar) in mice. A close inspection of the results ...
Source: Medicinal Chemistry Research - January 1, 2018 Category: Chemistry Source Type: research

Synthesis, characterization and evaluation of cytotoxic and antioxidant activities of dihydropyrimidone substituted pyrrole derivatives
AbstractDihydropyrimidones substituted pyrrole were prepared in high yields from three-component coupling of alkyl isocyanides, dialkyl acetylenedicarboxylates and dihydropyrimidone derivatives. In vitro cytotoxicity of the synthesized compounds was evaluated against HeLa cancer cell lines using MTT assay. The results shown that the cytotoxicity increased along with the increase of concentration of the compounds tested. Among these compounds,4e and4f including chlorine substituent displayed higher cytotoxic effect (IC50 = 10.36 ± 0.60 μM, 9.90 ± 0.20 ...
Source: Medicinal Chemistry Research - January 1, 2018 Category: Chemistry Source Type: research

Correction to: Isolation, characterization and antiproliferative evaluation of constituents from stem extracts of Alafia barteri Oliv. Hook. F.
AbstractCorrection to:https://doi.org/10.1007/s00044-017-2033-4 (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - December 26, 2017 Category: Chemistry Source Type: research

Acetylcholinesterase inhibition by products generated in situ from the transformation of N -arylisomaleimides
AbstractWhenN-arylisomaleimides were transformed under enzymatic reaction conditions, the transformation reaction proved to be influenced by electronic effects. This was demonstrated qualitatively by1H NMR spectroscopy and quantitatively by monitoring the kinetic of isomerization ofN-phenylisomaleimide toN-phenylmaleimide. Subsequently, the first pseudo-order and activation energy (Ea) of the process were determined. The compounds showed in situ influence on AChE inhibition. The derivatives with electron-withdrawing groups exhibited a better effect than those having electron-donating groups. The in silico experiments show ...
Source: Medicinal Chemistry Research - December 12, 2017 Category: Chemistry Source Type: research

Design, synthesis and anti-cancer evaluation of novel podophyllotoxin derivatives as potent tubulin-targeting agents
AbstractA series of podophyllotoxin derivatives (M1–M16) that were selectively acylated by various phenoxy acids at the C-4 position of podophyllotoxin were synthesized, and their biological activities were also evaluated. Among them, compoundM4 showed the most potent anti-cancer activity against HeLa cells with an IC50 value of 1.64  ± 0.41 μM. Additionally, flow cytometry analysis results indicated that it could cause a remarkable cell cycle arrest at G2/M phase, but the effect on apoptosis inducing was not significant. Moreover, the expression of cell cycle relative protein CDK1 was ...
Source: Medicinal Chemistry Research - December 11, 2017 Category: Chemistry Source Type: research

Synthesis and biological evaluation of some undecanone derivatives
AbstractThe total synthesis of Ardisinone E [15, 1-(2,4,6-trihydroxy phenyl)-11-(2-hydroxyphenyl)-undecan-1-one], a natural diarylundecanone, isolated fromArdisia arborescens, was accomplished along with 16 new diarylundecanone analogs (18a–p), by modified Wittig reaction. The structures of the compounds were confirmed by1H,13C and mass spectral data. Compound15 showed potent cytotoxic activity with an ED50 of 4.19  µg/mL in brine shrimp lethality assay model. Compounds18c,18e,18j,18k,18l, and18m exhibited strong anti-oxidant activity with IC50 values of 18.75, 12.28, 18.35, 11.04, 12.05, and 11.32 &thin...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Antibacterial effect on mature biofilms of oral streptococci and antioxidant activity of 3 β,6β,16β-trihydroxylup-20(29)-ene from Combretum leprosum
This study aimed to evaluate the antioxidant effect and antibacterial activity of the triterpene 3 β,6β,16β-trihydroxylup-20(29)-ene (CLF1) isolated fromCombretum leprosum leaves on mature biofilms fromStreptococcus mutans andS. parasanguinis, both involved in dental caries. In order to determine the bacterial death time curve promoted by CLF1, minimum inhibitory concentration and minimum bactericidal concentration were also assessed. The susceptibility of mature biofilms from both species to CLF1 was investigated through total biomass quantification and enumeration of biofilm-entrapped colony forming units....
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Microwave-assisted synthesis, characterization and bioassay of acylhydrazone derivatives as influenza neuraminidase inhibitors
AbstractA series of acylhydrazone derivatives (4a–4s) were synthesized via microwave irradiation with short reaction time and good yields. The crystal structure of compound4j was further determined by single-crystal X-ray diffraction. All of the derivatives were evaluated in vitro for influenza neuraminidase inhibitory activities. Among them, compounds4l and4n showed the most potent activity with IC50 values of 59.86 and 49.97  μM, respectively. Molecular docking was performed to study the interactions between the protein and compound4n. The docking result revealed the potential dual-site binding model of t...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Discovery of tetrahydro- ß-carboline derivatives as a new class of phosphodiesterase 4 inhibitors
In this study, two novel series of tetrahydro- β-carbolines were designed by combining the pharmacophoric features of both tadalafil and piclamilast. Twenty-two compounds were synthesized and assessed for Phosphodiesterase 4 inhibition, four of them showed superior activity to the reference compound IBMX. Docking studies showed that the prepare d compounds interact with the crucial Gln443 with variable interactions with the hydrophobic pocket Q2. This is the first report of tetrahydro-β-carbolines as a scaffold for Phosphodiesterase 4 inhibition. Currently, further optimization of the substituents is carried out ...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

New quaternary ammonium pyridoxine derivatives: synthesis and antibacterial activity
AbstractA diverse library of 34 new quaternary mono-ammonium and bis-ammonium pyridoxine derivatives was synthesized, and their antibacterial activity against several clinically relevant bacterial strains was evaluated in vitro. Several mono-ammonium compounds demonstrated high antibacterial activity against methicillin-resistantStaphylococcus strains with minimum inhibitory concentrations in the range of 0.5 –8 µg/mL, which exceeded activity of miramistin and was comparable to that of benzalkonium chloride. SOS-chromotest inSalmonella typhimurium showed the lack of DNA-damage activity for all active com...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Evaluation of nitric oxide inhibition effect in LPS-stimulated RAW 264.7 macrophages by phytochemical constituents from Mesua beccariana , Mesua congestiflora , and Mesua ferrea
This study was conducted to evaluate the anti-inflammatory properties of the secondary metabolites and extracts fromMesua species by using nitric oxide inhibition and protein denaturation assays. Our phytochemical investigations on three species ofMesua plants,Mesua beccariana, M. congestiflora, andM. ferrea have resulted in sixteen pure metabolites. The anti-inflammatory effects of the crude extracts, as well as the pure metabolites were evaluated against mouse leukemic monocyte RAW 264.7 macrophage cell line and protein denaturation assay. All the crude extracts exhibited concentration dependent inhibition of the anti-in...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

α - Amylase and α-glucosidase inhibitory activities of the herbs of Artemisia dracunculus L. and its active constituents
AbstractA new phenylpropanoid named 4-(1 ′,1′,2′,2′-tetramethylpropyl)-1,2-benzenediol (1) with a known phenylpropanoid: 3-(p-methoxyphenyl)-1,2-propanediol (2), a coumarin: herniarin (3), and a flavonol glycoside: rutin (4) were isolated from the aerial parts ofArtemisia dracunculus L. Their structures were elucidated by detailed analyses of 1D and 2D nuclear magnetic resonance, IR, ESI –MS and HR–ESI–MS data. Methanol extract of aerial parts of the plant, different polarity fractions of methanol extract and the isolated compounds from these fractions were evaluated for their alph...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

In vitro and in silico evaluation of 2-(substituted phenyl) oxazolo[4,5-b]pyridine derivatives as potential antibacterial agents
AbstractIncreasing resistance to antibiotics is a major problem worldwide and stimulates the development of new bacterial inhibitors. Series of oxazolo[4,5-b]pyridine synthesized in our lab was examined to screen them as potential antimicrobial agents. The antimicrobial analyses of the synthesized compound were based on minimum inhibitory concentration determination, against four strains of bacteria. The results showed that the synthesized compounds have elicited good activity profile against methicillin-resistantStaphylococcus aureus (S. aureus), the bacterium that is largely responsible for hospital-acquired infections. ...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

3D QSAR and molecular docking studies of 4-alkoxy- and 4-acyloxy –phenyl ethylene thiosemicarbazone derivatives as tyrosinase inhibitors
AbstractThree-dimensional quantitative structural –activity relationship studies were carried out to understand the factors affecting the activity of 4-alkoxy- and 4-acyloxy –phenyl ethylene thiosemicarbazone analogs. The quantitative structural activity relationship model has generated five points Pharmacophore features, having an excellent cr oss-validated correlation coefficient value (Q2 = 0.8615), Pearson R (0.9577). This model also exhibited a high value ofR2 (0.9948),F-value (617.8), and lowest SD (0.089). The regression maps were developed on the basis of the best model and suggested aroma...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

DNA interaction of bromomethyl-substituted acridines
In this study, 1,8-bis(bromomethyl)acridine (2) and 2,7-bis(bromomethyl)acridine (3), monofunctional 2-(bromomethyl)-7-methylacridine (4) and 2,7-dimethylacridine (5) were synthesized, and their crosslinking and intercalative activities were investigated to assess the reactivity of bromomethyl acridines with DNA. Interstrand crosslinking activity was similar among the three bis(bromomethyl)acridines. The acridines exhibited intercalation activity for calf thymus DNA as follows:3 >  4 >  2 = 1 >>>  5. Intracellular DNA-crosslinking and DNA-intercalating ...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Bioguided chemical characterization of the antiproliferative fraction of edible pseudo bulbs of Malaxis acuminata D. Don by HPLC-ESI-QTOF-MS
AbstractThe edible pseudo bulbs ofMalaxis acuminata D. Don are used as a constituent of an Indian drug ‘Astavarga’ and in several marketed Ayurvedic formulations. The aim of the present work was to investigate the in vitro antiproliferative activity of the ethanolic extract and its fractions of the pseudo bulbs ofMalaxis acuminata and to develop the HPLC-ESI-QTOF-MS/MS method for rapid de-replication of the phytoconstituents present in the bioactive fraction. The antiproliferative activity was evaluated against four human cancer cell lines, such as A549 (non-small cell lung cancer cells), DU145 (human prostate ...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Radiosynthesis and biodistribution of 99m Tc-Sulfamethoxazole: a novel molecule for in-vivo infection imaging
AbstractThe aim of this study was to prepare99mTc-Sulfamethoxazole complex and evaluate its efficiency as an infection imaging agent. The Sulfamethoxazole was labeled with99mTc and its biological efficacy as a potential radio tracer forStaphylococcus aureus infection was investigated in bacterially infected Albino Wistar rats. The radiolabeling yield was found to be 95  ± 3.07% and remained constant at more than 93 ± 0.1% even in serum for 240 min after radiolabeling.99mTc-Sulfamethoxazole prepared with high yield localized well in the bacterially infected muscle of the rats...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors
AbstractThe CORAL software based on the optimal descriptors calculated with simplified molecular input-line entry system was used to build up quantitatively structure-activity relationship for the minimal inhibition concentrations against (i)Mycobacterium tuberculosis H37RV ATCC 27294 and (ii)M. tuberculosis drug resistant clinical isolate. The predictive potential of these models has been checked up with three random splits into the training, calibration, and validation sets. Although all models are quantitative, it has been found that splitting have apparent influence on the statistical quality of these models. Thus, the...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Molecular docking and glucosidase inhibition studies of novel N-arylthiazole-2-amines and Ethyl 2-[aryl(thiazol-2-yl)amino]acetates
This study describes an efficient synthesis of a series of novel ethyl 2-[aryl(thiazol-2-yl)amino]acetates (4a–l) fromN-arylthiazole-2-amines (3a–l). The reaction conditions were optimized and the best results were obtained when ethyl chloroacetate was used as alkylating agent and NaH as base in THF.α-glucosidase andβ-glucosidase inhibition activities ofN-arylthiazole-2-amines (3a–l) and ethyl 2-[aryl(thiazol-2-yl)amino]acetates (4a–l) were determined, which revealed that most of the compounds showed high percentage inhibition towards the enzymes. Among the synthesized compounds,4e appear...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Rapid screening, separation, and detection of α-glucosidase inhibitors from Hedyotis diffusa by ultrafiltration–liquid chromatography tandem mass spectrometry–high-speed countercurrent chromatography
In this study, a new assay based on ultrafiltration –liquid chromatography was developed for the rapid screening and identifying of ligands for α-glucosidase inhibitors fromHedyotis diffusa. Eleven potential α-glucosidase inhibitors were found in the crude extract, and four of these were separated successfully by high-speed countercurrent chromatography: 2-hydroxyl-3-methyl anthraquinone, 2-methyl-3-hydroxyl anthraquinone, 2-hydroxyl-3-methyl-1-methoxyl anthraquinone, and a novel compound. The percent purities of the compounds are 97.71, 95.96, 87.60, and 93.66%, respectively. Results of our study demonst...
Source: Medicinal Chemistry Research - November 7, 2017 Category: Chemistry Source Type: research

Anticholinesterase, antioxidant, and beta-amyloid aggregation inhibitory constituents from Cremastra appendiculata
AbstractThe tubers ofCremastra appendiculata (D. Don) Makino (Orchidaceae) are used in traditional Chinese medicine for the treatment of cancer and bacterial infections. Its 95% ethanol extract was found to display potent inhibitory activities on butyrylcholinesterase (BChE) (IC50 = 23.66 µg/mL) and β-amyloid peptide aggregation (74.09% at 100 μg/mL). Active ethyl acetate extract afforded one bibenzyl (1), four phenanthrenes (2–5), and one rotenoid (6) by a bioassay-guided isolation. Compounds2,3, and5 exhibited potent BChE inhibitory effects with IC50 values of 19.66, 32.80,...
Source: Medicinal Chemistry Research - November 4, 2017 Category: Chemistry Source Type: research

Anti-microbial and Anti-biofilm activity of a novel Dibenzyl (benzo[d] thiazol-2-yl (hydroxy) methyl) phosphonate by inducing protease expression in Staphylococcus aureus
AbstractIn the present study a novel Dibenzyl (benzo[d]thiazol-2-yl(hydroxy)methyl) phosphonate (3b) derived from α-Hydroxyphosphonate exhibited anti-Staphylococcus aureus and anti-biofilm properties against penicillin, ampicillin and methicillin-resistant strains ofS. aureus. The compound3b showed Minimum inhibitory concentration (MIC90) at 160  ± 1 µg/ml and lethal dose (LD50) at 80  ± 1 µg/ml.S. aureus growing as planktonic culture shows a formation of aggregates which is the prerequisite for the formation of biofilms, the compound3b disrupted agg...
Source: Medicinal Chemistry Research - November 3, 2017 Category: Chemistry Source Type: research

Argentatin B derivatives induce cell cycle arrest and DNA damage in human colon cancer cells through p73/p53 regulation
AbstractThe unique etiology of cancer requires a multidimensional approach for its treatment, control, and prevention. Therefore, all approaches to drug discovery and development should be exploited. Argentatin B (1) is a cycloartane triterpene isolated fromParthenium argentatum with inhibitory activity on tumor lines. The aim of this study is to investigate the inhibitory effect of1 and10 derivatives on the proliferation of a human colon cancer cell line (RKO), their genotoxic effects on human lymphocytes, as well as their potential effect on tumor protein (TP)-p53 and TP73 expression and phosphorylation. Argentatin B was...
Source: Medicinal Chemistry Research - November 3, 2017 Category: Chemistry Source Type: research