3,4-Dihydro-quinolin-2-one derivatives from extremophilic Streptomyces sp. LGE21
AbstractThree new naturally-occurring 3,4-dihydroquinoline-2-one derivatives: 8-Hydroxy-3,4-dihydro-1H-quinolin-2-one (1), 3,4-dihydro-1H-quinolin-2-one (2) and 8-methoxy-3,4-dihydro-1H-quinolin-2-one (3), together with linoleic acid, glycerol monolinoleate and phenyl acetic acid were isolated from theStreptomyces sp. LGE21, derived fromLemna gibba. Structures of the new alkaloids (1–3) were determined by extensive 1D and 2D NMR, and MS measurements. In vitro cytotoxic studies of1–3 and linoleic acid, in comparison with the original extract were assayed against liver cancer HEPG2 cell line and the human cervix ...
Source: Medicinal Chemistry Research - May 24, 2018 Category: Chemistry Source Type: research

Exploring inhibition mechanism and nature of lipase by Ligupurpuroside A extracted from Ku-Ding tea
This study should be helpful for the design of diet drug and the full use of Ligupurpuroside A in food industry. (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - May 24, 2018 Category: Chemistry Source Type: research

Secondary metabolites from two Hispaniola Ageratina species and their cytotoxic activity
AbstractStudy of the aerial parts of the two species ofAgeratina:A. dictyoneura andA. illita afforded four newent-labdane diterpenoids (1–4). Two known labdanes: 2 β,3α,15-trihydroxy-ent-labd-7-ene (5), and 2 β,3α-trihydroxy-ent-labd-7-en-15-oic acid (6); two sesquiterpene lactones: 8 β-hydroxy-β-cyclocostunolide (7) and eupatoriopicrin (8), one benzofuran, and six flavonoids were also isolated. Their chemical structures were determined based on extensive spectroscopic study, comparison with reported data and chemical transformations. The cytotoxicity of the newent-labdane diterpenoids...
Source: Medicinal Chemistry Research - May 24, 2018 Category: Chemistry Source Type: research

Antioxidant and anticholinesterase activities of Ferulago syriaca Boiss. and F. isaurica Pe șmen growing in Turkey
AbstractFerulago species have been utilized since ancient times as anthelmintic, digestive, sedative, and aphrodisiac, along with salads or as seasoning in view of their special odors. The study reports the antioxidant and anticholinesterase activities of extracts, fractions from roots, and aerial parts together with isolated compounds from chloroform fractions of roots [isoimperatorin (1), bergapten (2), prantschimgin (3), xanthotoxin (4), and felamidin (5)] fromFerulago syriaca Boiss. andF. isaurica Pe șmen. The phenolic contents and antioxidant activities of extracts, fractions, and isolated compounds were performed wi...
Source: Medicinal Chemistry Research - May 24, 2018 Category: Chemistry Source Type: research

Synthesis and evaluation of antinociceptive and anti-inflammatory effects of nitro-porphyrins
AbstractThis manuscript reports the anti-inflammatory and antinociceptive effects of 4 nitrophenyl-porphyrins: 5,10,15,20-tetra-(3-nitrophenyl)-porphyrin (TNPP), 5,10,15,20-tetra-(4-fluoro-3-nitrophenyl)-porphyrin (TpFNPP), 5,10,15,20-tetra-(4-chloro-3-nitrophenyl)-porphyrin (TpClNPP), and 5,10,15,20-tetra-(4-bromo-3-nitrophenyl)-porphyrin (TpBrNPP). The in vivo anti-inflammatory assays were tested on the acute and chronic TPA (12-O-tetradecanoylphorbol 13-acetate) induced ear edema. The in vitro anti-inflammatory assay was carried out using J774A.1 murine macrophages stimulated with LPS. All nitro-porphyrins decreased inf...
Source: Medicinal Chemistry Research - May 24, 2018 Category: Chemistry Source Type: research

Combined topomer CoMFA and hologram QSAR studies of a series of pyrrole derivatives as potential HIV fusion inhibitors
AbstractTo have a better understanding of the relationship between structures and inhibitory activities of HIV fusion inhibitors, topomer comparative molecular field analysis (Topomer CoMFA) and hologram quantitative structure –activity relationship (HQSAR) were applied to study a series of pyrrole derivatives as potential HIV fusion inhibitors. Statistical results from the Topomer CoMFA model showed believable predictability based on the non-cross-validated value (r2 = 0.96), and the cross-validated value (q2 = 0.63). Ther2 andq2 from the HQSAR model were 0.96 and 0.66, respectively, whic...
Source: Medicinal Chemistry Research - May 21, 2018 Category: Chemistry Source Type: research

Design, synthesis and cytotoxic evaluation of quinazoline-2,4,6-triamine and 2,6-diaminoquinazolin-4(3 H )-one derivatives
AbstractA series of quinazoline-2,4,6-triamine (quinazoline) and 2,6-diaminoquinazolin-4(3H)-one (quinazolinone) derivatives were designed, synthesized and evaluated as cytotoxic agents in three cancer cell lines (HCT-15, SKOV-3, and MDA-MB-231) using conventional MTT assay. Of the tested compounds, only eleven quinazoline derivatives showed activity against all the tested cell lines, at 24  h of exposure. Among them, the compounds3e and3f exhibited the highest cytotoxic activity, with the most important IC50 values ranging from 4.5 to 15.5  μM. They were more active than the reference drugs (Gefitinib, PD...
Source: Medicinal Chemistry Research - May 21, 2018 Category: Chemistry Source Type: research

Inhibitor discovery from pomegranate rind for targeting human salivary α-amylase
This study explored the effects of the main active compounds of the pomegranate (Punica granatum L.) rind extract on the activity of the human salivary α-amylase and their molecular inhibitory mechanisms. Four compounds exhibited remarkable inhibitory activities against α-amylase, including (1) rutin, (2) luteolin, (3) quercetin, and (4) kaempferol. The IC50 values were found to be 265.65, 59.67, 99.56, and 139.72  μM for rutin, luteolin, quercetin, and kaempferol, respectively. The kinetic study using the Lineweaver–Burk revealed the four compounds showed a non-competitive inhibition against &a...
Source: Medicinal Chemistry Research - May 18, 2018 Category: Chemistry Source Type: research

Selective and novel cyclin-dependent kinases 4 inhibitor: synthesis and biological evaluation
AbstractA series of novel LEE011 derivatives containing pyridine N-oxide were designed, synthesized and evaluated. Systematic study of the structure-activity relationship (SAR) improves the selectivity for CDK4 and led to the identification of compound9a. The compound showed comparable CDK4 kinase activity with ribociclib and greater selectivity over the closely related CDK6 kinase. The selective CDK4 inhibitor9a has been demonstrated the antitumor activity via G1 phase cell cycle arrest, as well as dual CDK4/CDK6 inhibitor ribociclib and significantly down-regulated the activity of CDK4-cyclinD-Rb pathway of tumor cells. ...
Source: Medicinal Chemistry Research - May 18, 2018 Category: Chemistry Source Type: research

Synthesis, X-ray crystallographic study, pharmacology and docking of hydrazinyl thiazolyl coumarins as dengue virus NS2B/NS3 serine protease inhibitors
AbstractA series of total twenty-one thiazole-coumarin derivatives7a-u, linkedvia hydrazine linkage were synthesized through Hantzsch cyclisation. Out of twenty-one derivatives, fourteen derivatives viz.7b-d, 7g, 7i-k, 7n and7p-u are the novel derivatives. The structures of the synthesized compounds were established by extensive spectroscopic studies (FTIR,1H NMR,13C NMR, 2D NMR, LC-MS) and elemental analysis. The structure of (E)-6-methoxy-3-(1-(2-(4-p-tolylthiazol-2-yl)hydrazono)ethyl)-2H-chromen-2-one (7d) was unambiguously confirmed by X-ray crystallography analysis. Hybrid molecules were evaluated for their potential ...
Source: Medicinal Chemistry Research - May 18, 2018 Category: Chemistry Source Type: research

Methotrexate-conjugated to polymer quantum dot for cytotoxicity effect improved against MCF-7 and Hela cells
AbstractMethotrexate (MTX) is a folic acid derivative that is used for the treatment of different malignancies, whose applications have become limited by its toxic dose-related side effect and the possible initiation of drug resistance. The aim of the present research is to study the enhancement of the cellular cytotoxicity of MTX as an anticancer drug by conjugation to the synthesized polymer dots ’ (Pdots) surface. This conjugation was developed covalently by carbodiimide chemistry and characterized with Fourier transform infrared spectroscopy (FT-IR), dynamic light scattering (DLS), and UV–Vis spectroscopy. ...
Source: Medicinal Chemistry Research - May 18, 2018 Category: Chemistry Source Type: research

Spectroscopic investigation on the interaction characteristics and inhibitory activities between baicalin and acetylcholinesterase
AbstractRestoring neurotransmitter acetylcholine (ACh) levels by inhibiting acetylcholinesterase (AChE) has become the primary treatment for the cognitive deficits of Alzheimer ’s disease. The inhibitory effects of flavonoids on AChE have attracted great interest among researchers, but few reports have focused on the interaction characteristics of inhibitor with AChE. In this work, the interaction of inhibitor baicalin with AChE was studied for the first time by fluoresc ence spectroscopy coupled with UV spectroscopy and circular dichroism (CD) techniques under near physiological conditions. The fluorescence quenchin...
Source: Medicinal Chemistry Research - May 18, 2018 Category: Chemistry Source Type: research

New camphor hybrids: lipophilic enhancement improves antimicrobial efficacy against drug-resistant pathogenic microbes and intestinal worms
AbstractUsing the Blanc reaction, new derivatives of camphor (1a–g) and camphor sulfonic acid (2a–g) were synthesized. Chemical structures of the new derivatives were supported by IR,1H-NMR,13C-NMR, and LC-MS/MS (ESI) spectrometric analyses. The new compounds (1a–g/2a–g) and the parent compounds (a–g) were tested for their antimicrobial efficacy against the following drug-resistant pathogens: methicillin-resistantStaphylococcus aureus (MRSA), multi-drug resistantKlebsiella pneumonia (MDR-Kb),Escherichia coli (FDA control),Acinetobacter baumannii, Pseudomonas aeruginosa, Candida albicans (CLSI:...
Source: Medicinal Chemistry Research - May 12, 2018 Category: Chemistry Source Type: research

Correction to: Cytotoxic and anti-inflammatory compounds from Red Sea grass Thalassodendron ciliatum
The original version of this article unfortunately contained a mistake in the Electronic Supplementary Material. (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - May 9, 2018 Category: Chemistry Source Type: research

Structural characterization, biochemical, inhibition and computational studies of Entamoeba histolytica phosphoglycerate mutase: finding hits for a new antiamoebic drug
AbstractEntamoeba histolytica is the causative agent of amoebiasis, which infects an estimated 50 million people globally each year. This parasite uses glycolysis as its only source of energy making enzymes of this route such as phosphoglycerate mutase (EhPGAM) excellent targets in the search for new drugs, a continuing necessity due to the adverse effects and unsuccessful cases of treatment that have resulted from the use of available antiparasitic agents. The aim of this work is to present the biochemical and structural characterization of EhPGAM and the results of a search for the first inhibitors of this enzyme. To thi...
Source: Medicinal Chemistry Research - May 7, 2018 Category: Chemistry Source Type: research

Synthesis of new C -dimethylated chalcones as potent antitubercular agents
AbstractA new class ofC-dimethylated-chalcones (9a–q) were synthesized by using 2-hydroxy-3,5-dimethyl-4,6-dimethoxy acetophenone as a key intermediate. The compounds were screened for anti-tubercular activity againstMycobacterium tuberculosis strain (H37Rv) by Microplate Alamar Blue assay (MABA) method at a concentration of 100 –0.8 µg/mL. The chalcones,9a,9b,9c,9k,9o, and9p were found to have higher antitubercular activity than the standard drugs, while the remaining compounds showed moderate activity. The antitubercular activity of the chalcones,9b (MIC90 = 3.98 µM) an...
Source: Medicinal Chemistry Research - May 4, 2018 Category: Chemistry Source Type: research

Synthesis and evaluation of coumarin/piperazine hybrids as acetylcholinesterase inhibitors
AbstractA series of new coumarin/piperazine hybrids were synthesized and evaluated for anticholinesterase activity. Among them, compounds4d and4t exhibited potent human acetylcholinesterase (hAChE) inhibitory activity with IC50 values of 2.42 and 9.89  μM, respectively, and4t displayed highest selectivity toward hAChE over human butyrylcholinesterase (hBChE) by 9.8-fold. In addition, both compounds did not show observed cytotoxicity against SH-SY5Y neuroblastoma cell line at 100  μM. Kinetic analysis in tandem with molecular docking study revealed that these hybrids targeted both catalytic active site (...
Source: Medicinal Chemistry Research - May 4, 2018 Category: Chemistry Source Type: research

Oxygenated heterocyclic metabolites with dual cyclooxygenase-2 and 5-lipoxygenase inhibitory potentials from Rhizophora annamalayana
AbstractPreviously undescribed oxygenated heterocyclic metabolites were purified from the ethyl acetate fraction of natural mangrove hybridRhizophora annamalayana. The purified metabolites were characterized as 11-(tetrahydro-14 α-hydroxy-13β-methylfuran-12-yl)-10β-methylbutyl benzoate (1), 13-(tetrahydro-15 β,16α-dimethyl-18-oxo-2H-pyran-14-yl)-10 β-methylhept-12(E)-enyl benzoate (2), and dihydro-11-((7E)-2-hydroxy-8 β-methyl-2H-chromen-9-yl)-13-methylpent-12(E)-enyl)-17 β-methylfuran-19(3H)-one (3) by the combined spectroscopic experiments. These metabolites were assessed for the...
Source: Medicinal Chemistry Research - May 4, 2018 Category: Chemistry Source Type: research

Evidences for the antitumor potentiality of Hemimycale arabica and Negombata magnifica mesohyls in hepatocellular carcinoma rat model
AbstractThe current study was constructed to explore the antitumor activity ofHemimycale arabica (blue sponge) andNegombata magnifica (red sponge) mesohyls in rat model of HCC. Forty adult female albino rats were distributed into: (1) negative control group, (2) HCC group, (3) Doxorubcin (DOXO)-treated group, (4) mesohyl ofH. arabica-treated group, and (5) mesohyl ofN. magnifica-treated group. Serum AST, ALT, GGT, α-fucosidase (AFU) activities; bilirubin, AFP and CEA levels was evaluated. Histopathological investigation of liver tissue sections was performed. The findings of this study indicated the presence of signi...
Source: Medicinal Chemistry Research - April 17, 2018 Category: Chemistry Source Type: research

Synthesis of nucleobase-neomycin conjugates and evaluation of their DNA binding, cytotoxicities, and antibacterial properties
AbstractNeomycin is known to preferentially bind to A-form nucleic acid structures including triplex DNA, DNA and RNA hybrid, and duplex RNA. Tethering a DNA intercalator moiety to the C5 ” position of the ring III of neomycin is a practical approach to develop potent binders targeting various nucleic acid secondary structures via a synergistic effect; however, the minimal stacking surface of the intercalating moiety required to exhibit the effect remains unclear. In the present wo rk, we synthesized four nucleobase and neomycin conjugates via click chemistry. All four conjugates stabilized a DNA oligonucleotide trip...
Source: Medicinal Chemistry Research - April 17, 2018 Category: Chemistry Source Type: research

Synthesis and enzyme inhibitory kinetics of some novel 3-(substituted benzoyl)-2-thioxoimidazolidin-4-one derivatives as α-glucosidase/α-amylase inhibitors
AbstractThe present work describes an efficient and convenient synthesis of a library of novel 3-(substituted benzoyl)-2-thioxoimidazolidin-4-ones(3a –j). The benzoyl isothiocyanates were treated with glycine in the presence of pyridine, the reactants got consumed giving a variety of thioxoimidazolidin-4-ones derivatives under mild reaction conditions. The structures of the compounds were determined by elemental analysis, FTIR,1H,13C NMR and mass spectral data. The title compounds were tested for their potential to inhibit the activity of enzymes α-glucosidase and α-amylase. It was found that most of the ...
Source: Medicinal Chemistry Research - April 17, 2018 Category: Chemistry Source Type: research

Dipeptides as linker for multicomponent presentation —a facile, robust, and high-bioactivity yielding strategy
AbstractThe need for multiple drugs arises when the response to pharmacological inflection is complicated and the disease conditions get worsened. The treatment requires a common platform to which multiple drugs are linked and this methodology is proven to be useful in drug delivery, biomaterial research, biomedicine, and vaccine development. In view of this, the present work is centered on dipeptides (KW/ KD/ KE/ kW/ kD/ kE), which are used as linkers and can potentially hold different functional group containing molecules (here, amino and carboxyl). First, we have demonstrated the incorporation of three components to the...
Source: Medicinal Chemistry Research - April 17, 2018 Category: Chemistry Source Type: research

Optimal axial alkylpyridinium-bonded tricationic P-porphyrin in photodynamic inactivation of Escherichia coli
AbstractAlkylpyridinium (Apy)-bonded porphyrins have received considerable attention as singlet-oxygen (1O2) sensitizers for photodynamic inactivation (PDI). It is expected that the introduction of Apy makes porphyrins water-soluble and enhances the affinity of porphyrins to DNA. Here, we focused on Apy-bonded P-porphyrins that were prepared through the modification of axial ligands ofmeso-tetraphenylporphyrinatophosphorus by the Apy ’s group and linkers. These water-soluble porphyrins (1) were applied to sensitize the inactivation ofEscherichia coli under visible-light irradiation, since there are only few1O2 sensit...
Source: Medicinal Chemistry Research - April 17, 2018 Category: Chemistry Source Type: research

Effects of acetazolamide on the conformations and activities of digestive enzymes: pepsin and trypsin
This study is helpful for understanding the changes in the function and structure of digestive enzymes influenced by acetazolamide in gastrointestinal tract in vivo. (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - April 17, 2018 Category: Chemistry Source Type: research

Synthesis, evaluation, and molecular properties prediction of substituted cinnamoylpiperazine derivatives as potential antinociceptive and anticonvulsive agents
AbstractA series of novel cinnamoylpiperazine derivatives (5a–5l) were synthesized as potential antinociceptive, and anticonvulsive agents. Various heterocyclic systems like piperidine, morpholine, piperazine, and N-arylpiperazine were combined with cinnamoyl or methylenedioxy cinnamoyl moieties to obtain a series of constrained analogs of cinnamides. Of these, compound5e possessing 4-fluorophenyl substitution on the piperazine ring exhibited good antinociceptive activity in capsaicin and formalin-induced nociception methods, and also significant anticonvulsant activity in pentylenetetrazole and maximal electroshock-...
Source: Medicinal Chemistry Research - April 7, 2018 Category: Chemistry Source Type: research

Dual targeting agents for A β plaque/P-glycoprotein and Aβ plaque/nicotinic acetylcholine α4β2* receptors—potential approaches to facilitate Aβ plaque removal in Alzheimer’s disease brain
We report here development of dual targeting agents with affinity for Aβ plaque/P-glycoprotein (Pgp) and Aβ plaque/α4β2* nicotinic acetylcholine receptors (nAChR). These novel dual agents may be able to efflux Aβ plaques via the paravascular (glymphatic) pathways. Ferulic acid (FA), ferulic acid ethyl ester (FAEE), and curcumin (CUR) were used for Aβ plaques, fexofenadine (FEX) was used as substrate for Pgp and nifrolidine (NIF) was used for α4β2* nAChRs. Aβ plaque/α4β2* nAChR dual agent, FA-NIF (GKS-007) exhibited IC50 = 3–6 nM for &alpha...
Source: Medicinal Chemistry Research - April 7, 2018 Category: Chemistry Source Type: research

Synthesis of asiatic acid derivatives and their cytotoxic activity
AbstractTwenty-eight compounds, including 24 new (4–22,25–26, and 28–30) and four known (2,23,24, and27) have been synthesized starting from asiatic acid (1), which was isolated fromCentella asiatica. The preparation procedure included the acetylation, hydrolyzation on the 2-, 3-, 23-, and the side chain hydroxyl, amino groups, as well as the amidation of the 28-carboxylic group. All the synthesized derivatives were structurally confirmed by1H,13C NMR, and MS spectra. Besides, they were evaluated for their cytotoxicity against three cancer cell lines: KB (human carcinoma in the mouth), HepG2 (human hepato...
Source: Medicinal Chemistry Research - April 6, 2018 Category: Chemistry Source Type: research

Synthesis, antimicrobial activity, and molecular docking study of fluorine-substituted indole-based imidazolines
AbstractA series of 2- or 3-(4,5-dihydro-1H-imidazol-2-yl)-1H-indole derivatives were synthesized, characterized, and evaluated for their in vitro antibacterial and antifungal activities. Additionally, the synthesized compounds were docked into the II DNA gyrase B active site, and their predicted binding modes were inspected. Inhibitory activity were tested against two species of Gram-negative bacteria (Escherichia coli,Pseudomonas aeruginosa), two species of Gram-positive bacteria (Staphylococcus aureus,Listeria monocytogenes) and two fungi (Candida albicans, Aspergillus niger) using the broth microdilution method. The fl...
Source: Medicinal Chemistry Research - April 6, 2018 Category: Chemistry Source Type: research

Study of the effect of thiourea and N -ethyl groups on antibacterial activity of rhodamine-labeled 3,4-HPO iron chelators against Gram (+/ −) bacteria
AbstractIn the sequence of the work in which we identified functional groups of rhodamine labeled 3,4-HPO chelators that are crucial for their activity againstMycobacterium avium infection we now scrutinize if the same groups are also relevant for the chelators antibacterial activity against Gram (+/ −) bacteria. In this new infection scenario, we confirmed that a thiourea linkage andN-ethyl substituents on the xanthene ring are important and there is an advantage of the association of both groups in the molecular framework. In particular, we found that three hexadentate chelators (MRH7,MRH8, andMRH10) inhibit bacter...
Source: Medicinal Chemistry Research - March 12, 2018 Category: Chemistry Source Type: research

Potentiation effects by usnic acid in combination with antibiotics on clinical multi-drug resistant isolates of methicillin-resistant Staphylococcus aureus (MRSA)
AbstractThe in vitro antibacterial activities of usnic acid (UA) in combination with six currently available antibiotics were evaluated through checkerboard microdilution and dynamic time-killing assays againstStaphylococcus aureus and 10 clinical isolates of methicillin-resistantS.aureus (MRSA). The six antibiotics include three aminoglycosides (i.e., amikacin (AK), etimicin (EM), streptomycin (SM)), two glycopeptides (i.e., teicoplanin (TP), vancomycin (VA)) and a tetracycline (i.e., minocycline (MC)). UA alone showed MIC of 16  μg/mL against bothS. aureus and MRSA strains. The checkerboard assay showed the ran...
Source: Medicinal Chemistry Research - March 9, 2018 Category: Chemistry Source Type: research

The protective effects of MPLC isolated glycyrrhizin and mangiferin against brain toxicity in rats
AbstractThe present study was conducted to demonstrate a method for preparative isolation of glycyrrhizin and mangiferin using medium-pressure liquid chromatography (MPLC) and to further investigate their protective effects against aluminum-induced brain toxicity in rats compared to melatonin (classical neuroprotective drug). Brain toxicity was determined through assessment of lipid profile, B-cell lymphoma 2 (Bcl2), Bcl-2-associated X protein (Bax), reduced glutathione (GSH), superoxide dismutase (SOD), catalase (CAT), lipid peroxide (malondialdehyde), nitric oxide (NO), cytokines level such as tumor necrosis factor-alpha...
Source: Medicinal Chemistry Research - March 8, 2018 Category: Chemistry Source Type: research

Inhibitory effects of α, β-unsaturated carbonyl-based compounds and their pyrazoline derivatives on the phagocytosis of human neutrophils
AbstractA series of α, β-unsaturated carbonyl-based compounds (curcumin analogs and chalcone derivatives) and their pyrazoline derivatives were investigated for their in vitro inhibitory effects on the phagocytosis of human neutrophils. The effects of the compounds on the chemotactic migration, CD11a/18 expression, p hagocytic activity, and reactive oxygen species (ROS) production by human whole blood cells (WBC) and isolated human polymorphonuclear neutrophils (PMNs) were assessed by using 24-well cell migration assay kit, flow cytometer, Phagotest assay kit, and luminol/lucigenin-based chemiluminescence assay,...
Source: Medicinal Chemistry Research - March 7, 2018 Category: Chemistry Source Type: research

Collection of alkenylcoumarin derivatives as Taq DNA polymerase inhibitors: SAR and in silico simulations
AbstractUsing a feasible method, we generated a small focused library of structurally related alkenylcoumarins. These compounds were evaluated as potential antitumoral agents againstTaq DNA polymerase. 6-(pent-4-enyloxy)-coumarin (7) IC50 = 48.33 ± 2.85 μM was defined as a small molecule able to disturb DNA replication. Docking and Molecular Dynamic Simulations suggest an active-site binding. Structure/activity relationship was reasonably established. Compound7 represents a potential structure for further studies in the development of new anti-cancer DNA/polymerase binding agent...
Source: Medicinal Chemistry Research - March 7, 2018 Category: Chemistry Source Type: research

Synthesis and anticancer activity of multisubstituted purines and xanthines with one or two propynylthio and aminobutynylthio groups
AbstractA synthesis of new 2,6-disubstituted and 2,6,8-trisubstituted 7-methylpurines as well as 8-substituted 3,7-dimethylxanthines containing a triple bond chain have been worked out. Purinethiones and xanthinethiones were converted into propynylthio derivatives, which were then further transformed via a Mannich reaction into aminobutynylthio derivatives (amine  = pyrrolidine, piperidine, morpholine, and diethylamine). The products thus obtained represent various types of the purine and xanthine structure: 8-mono-, 2,6- and 6,8-dipropynylthio, 6- and 8-monoaminobutynylthio, 2,6- and 6,8-diaminobutynylthio d...
Source: Medicinal Chemistry Research - March 6, 2018 Category: Chemistry Source Type: research

Antimalarial activity of phytol derivatives: in vitro and in vivo study
AbstractSevere malaria is one of the leading causes of mortality among children and pregnant woman globally. Resistance development against the frontline antimalarial drugs has created an alarming situation, which requires intensive drug discovery to develop effective, affordable, and accessible antimalarial agents possessing novel modes of action. As a part of our drug discovery program for antimalarial agents from plants, phytol a very commonly occurring diterpene alcohol in the plant was investigated for its antimalarial potential. In vitro antiplasmodial activity against the chloroquine-sensitivePlasmodium falciparum N...
Source: Medicinal Chemistry Research - March 3, 2018 Category: Chemistry Source Type: research

Insulin releasing effect of some pure compounds from Moringa oleifera on mice islets
AbstractThe anti-diabetic activity of extracts, fractions and compounds ofMoringa oleifera have been reported; however, several constituents from this well known medicinal plant are not yet screened for bio-perspecting role for diabetes. Current studies demonstrated the anti-diabetic properties of five chemical constituents of the plant viz, 4-hydroxyphenylacetonitrite (1), fluoropyrazine (3), methyl-4-hydroxybenzoate (4), vanillin (5), and 4- α-L-rhamnopyranosyloxybenzyl isothiocyanate (6) along with one related compound 3,4-dihydroxy benzonitrile (2) for the first time in vitro and in vivo. Furthermore, the mechani...
Source: Medicinal Chemistry Research - March 3, 2018 Category: Chemistry Source Type: research

Synthesis, cytotoxic activity and binding model analysis of novel isoxazole-docetaxel analogues with C3 ′- N modification
AbstractStructure –activity relationship (SAR) studies confirm that modifications at C-3′ position can lead to the development of highly potent novel taxoids. We designed and synthesized a series of novel isoxazole-docetaxel analoguesA1–A5 by introducing isoxazolyl groups to C3 ′-N position. All of the synthesized compounds exhibited similar to better cytotoxic activities than docetaxel against human cancer cell lines, Hela, A2780, A549, MCF-7, and SK-OV-3. These compounds also possessed higher inhibition than docetaxel against drug-resistant cancer cell lines, A2780-MDR and MCF-7-MDR. Binding model...
Source: Medicinal Chemistry Research - March 3, 2018 Category: Chemistry Source Type: research

Synthesis, crystal structure, and antinociceptive effects of some new riluzole derivatives
This study investigated the antinociceptive activity of some N-alkylated derivatives of riluzole by hot plate test in mice. The relationship between antinociceptive activity and the doses of4b,4c,4h,4g, and riluzole had been studied. Compared with the control group (0  mg/kg), the effects of compounds4b and4h showed a significant increase (13.78  ± 2.89 s, 12.89 ± 2.94 s, respectively). Compound4c showed extreme significant increase (18.07  ± 3.08 s) in the time mice spent on the hot plate. The compounds4b,4c, and4h had increased the...
Source: Medicinal Chemistry Research - March 2, 2018 Category: Chemistry Source Type: research

Correction to: Antiacetylcholinesterase activity and docking studies with chlorogenic acid, cynarin and arzanol from Helichrysum stoechas (Asteraceae)
The original version of this article unfortunately contained an error in the article title. There is a incorrect term Lamiaceae inadvertently appeared in the title, instead it should be Asteraceae. (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - March 2, 2018 Category: Chemistry Source Type: research

Synthesis of azomethines derived from cinnamaldehyde and vanillin: in vitro aetylcholinesterase inhibitory, antioxidant and insilico molecular docking studies
AbstractIn the present study, we report the synthesis of azomethines derived from cinnamaldehyde (C1–C3) and vanillin (V1–V3) using ethanol as a green solvent in the presence of triethyl amine. The synthesized compounds were characterized and investigated for their free radical scavenging activity and anti-Alzheimer properties by DPPH and acetylcholinesterase (AChE) inhibition assays. The anti-Alzheimer properties of the compounds were determined by molecular docking and ADME predictions. Compounds,C1 andV1 were found to be potential with IC50 values of 0.01  ± 0.09 µM and 0.31...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Synthesis and antiproliferative activity of aminoalkylated chalcones on three human cancer cells
AbstractTwo series of 16 novel aminoalkylated chalcone derivatives2a–h and3a–h were synthesized from 2 ′-hydroxy-3,4,4′,6′-tetramethoxychalcone (1) through extending alkoxy side chain at the 2 ′-position, and introducting amine hydrogen bond receptor at the end of the side chain. Their in vitro antiproliferative activities were evaluated on a panel of three human cell lines (Hela, HCC1954, and SK-OV-3) by CCK-8 assay. The results showed that all the target compounds, except compound3e, exhibited moderate to potent antiproliferative activities against these three human cancer cells with t...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Discovery of a novel multifunctional carbazole –aminoquinoline dimer for Alzheimer's disease: copper selective chelation, anti-amyloid aggregation, and neuroprotection
AbstractA novel multifunctional carbazole –aminoquinoline dimerPZ001 was designed, synthesized, and evaluated. The results indicated thatPZ001 possessed selective copper chelation, and inhibited copper-induced A β1 –42 aggregation. Furthermore,PZ001 exerted powerful neuroprotection against glutamate-induced HT22 cell death. These results suggest thatPZ001 may be a promising multifunctional anti-AD compound. (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Synthesis and antibacterial activities of enamine derivatives of dehydroacetic acid
AbstractDehydroacetic acid is a common pyrone derivative used commercially as an antibacterial and antifungal agent. Based on the synthesis of dehydroacetic acid (1) fromN-hydroxysuccinimdyl acetoacetate, a novel series of enamine-based derivatives were synthesised in order to improve the antibacterial activity of dehydroacetic acid. The antibacterial activities of the synthesised analogues were evaluated againstEscherichia coli andStaphylococcus aureus. Derivative4d (N-Ph) was identified as the most potent inhibitor ofS. aureus growth. Overall, derivative4b (N-Me) showed the best broad-spectrum activity with five-fold gre...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Synthesis of diverse amide linked bis-indoles and indole derivatives bearing coumarin-based moiety: cytotoxicity and molecular docking investigations
AbstractNew amide linked bis-indoles10a, b, and12 have been synthesized by treatment of tryptamine (9) or 5-aminoindole (11) with oxalyl chloride or adipoyl chloride. In addition, a newly indole derivatives14–16 incorporated or fused with coumarin moieties have been prepared through the reaction of9 or11 with 4-chloro-3-formylcoumarin (13a) or 4-chloro-3-nitrocoumarin (13b). Further, 13-(3-nitrophenyl)-6,13-dihydrochromeno[4,3-b]pyrrolo[3,2-f]quinolin-12(3H)-one (20) has been produced via one-pot Mannish reaction of11, 4-hydroxycoumarin (17), and 3-nitrobenzaldehyde (18) in the presence ofN-chlorosuccinimide (NCS) as...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Cytotoxic alkaloids against human colon adenocarcinoma cell line (HT-29) from the seed embryos of Nelumbo nucifera
AbstractPhytochemical investigation of the CHCl3 extract of the seed embryos ofNelumbo nucifera Gaertn resulted in the isolation of a new naturally occurring bisbenzylisoquinoline alkaloid,O-methylneferine (1), together with five known alkaloids, neferine (2), armepavine (3), ( –)-(1R)-N-methylcoclaurine (4), nuciferine (5), and pronuciferine (6). The structures of these compounds were characterized by spectroscopic methods and comparison of physical properties with those reported in the literature. Among them, compounds1 and2 exhibited significant activity against human colon adenocarcinoma cell line (HT-29), with I...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Binding of clenbuterol to HSA and FTO: a spectroscopic analysis and molecular docking
In this study, the binding of CLB to two proteins, human serum albumin (HSA) and the human fat mass and obesity associated protein (FTO), have been investigated by spectroscopic and molecular modeling methods. Fluorescence data reve aled that CLB could bind to HSA (or FTO) to form a complex. Thermodynamic analysis and molecular modeling indicated that the binding process was a spontaneous molecular interaction procedure, in which hydrophobic interaction played a major role. Results indicated that CLB could lead to some microenv ironmental changes of both proteins. (Source: Medicinal Chemistry Research)
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Dihydroquercetin: known antioxidant —new inhibitor of alpha-amylase activity
AbstractThis paper describes the ability of a powerful antioxidant dihydroquercetin (DHQ) as a new inhibitor of the alpha-amylase. The enzyme activity was estimated in presence of different concentration of DHQ. The IC50 of this compound is close to 9  mM. Competitive kinetic mechanism of inhibition was demonstrated. Inhibition constant was estimated as 2.25 ± 0.22 mM (684 ± 66 ppm). It indicates a high affinity of dihydroquercetin to enzyme. The effect of dihydroquercetin as starch hydrolysis inhibitor was confirmed inSaccharomyces cerevisiae biological model....
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Synthesis, antimycobacterial evaluation, and QSAR analysis of meso- dihydroguaiaretic acid derivatives
AbstractThe increasing incidence of new tuberculosis cases and multidrug-resistant (MDR) strains ofMycobacterium tuberculosis have drawn the attention of researchers to the chemical derivatization of promising antimycobacterial natural products.Meso-dihydroguaiaretic acid (meso-DGA) has reported to possess modest activity against sensitive (H37Rv) and resistantM. tuberculosis strains. To improve the antimycobacterial properties ofmeso-DGA, a series of 19meso-DGA derivatives bearing carbamates and ethers were synthesized and tested against H37Rv and two MDR strains. Among the carbamates,2,3,5, and6 exhibited the lowest mini...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Novel furanyl derivatives from the red seaweed Gracilaria opuntia with pharmacological activities using different in vitro models
AbstractTwo previously undescribed furanyl compounds, characterized as 5-(7-(5-ethyl-3,4-dimethoxycyclooctyl) benzofuran-6-yl)-7-methyl-3,4,7,8-tetrahydro-2H-oxocin-2-one (compound1) and 2-(3-ethyl-9-(2-methoxyethoxy)-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-2-yl) ethyl-5-hydroxy-9-methoxy-7,8-dimethyl-8-(5-methylfuran-2-yl) nona-3,6-dienoate (compound2) were derived from the ethyl acetate –methanol (EtOAc:MeOH) crude extract of red seaweedGracilaria opuntia. The isolated compounds are the first furanyl natural products featuring methoxycyclooctyl benzofuran with tetrahydro-2H-oxocin framework and tetrahydro-1H-xanthenyl ...
Source: Medicinal Chemistry Research - March 1, 2018 Category: Chemistry Source Type: research

Synthesis, characterization, and bioactivity of new bisamidrazone derivatives as possible anticancer agents
AbstractA novel series of new di-(N-piperazin-1-yl)amidrazones and related congeners (3a–s) was synthesized by reaction of N ʹ,Nʺ-(biphenyl-4,4ʹ-diyl)-bis(2-oxopropanehydrazonoyl chloride) (2) with a selected set of secondary amines in basic media. Structures of the newly synthesized compounds were confirmed by elemental analysis and by various spectroscopic techniques such as1H NMR,13C NMR, 2D-NMR, and ESI-HRMS spectral data. Prepared compounds have been screened for antitumor activity against different cancer cell lines including breast cancer (MCF-7), colon cancer (Caco-2), and Leukemia (K562) cell lines using ...
Source: Medicinal Chemistry Research - February 28, 2018 Category: Chemistry Source Type: research