Current Advances and Limitations of Deep Learning in Anticancer Drug Sensitivity Prediction.
Abstract Anticancer drug screening can accelerate drug discovery to save the lives of cancer patients, but cancer heterogeneity makes it challenging. Prediction of anticancer drug sensitivity is useful for anticancer drug development and biomarker discovery. Deep learning, as a branch of machine learning, is an important part of in silico studies. Its outstanding computational performance means that deep learning has been applied to solving many biomedical problems, such as medical image recognition, biological sequence analysis, and drug discovery. There have been some studies of anticancer drug sensitivity predi...
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Tan X, Yu Y, Duan K, Zhang J, Sun P, Sun H Tags: Curr Top Med Chem Source Type: research

Activation of caspase-3 by terpenoids and flavonoids in different types of cancer cells.
CONCLUSION: Overall, terpenoids had a persistent activation of caspase-3 in all the investigated system while flavonoids circuitously affect the enzyme activity. PMID: 32648841 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Masood N, Dubey V, Luqman S Tags: Curr Top Med Chem Source Type: research

Vitamin C as an Anticancer Agent: Regulation of Signaling Pathways.
Abstract Treatment options for effective treatment of cancer with minimum off-target effects and maximum clinical outcome have remained overarching goals in the clinical oncology. Vitamin C has remained in the shadows of controversy in the past few decades however, burgeoning evidence has started to shed light on wide-ranging anticancer effects exerted by Vitamin C to induce apoptosis in drug-resistant cancer cells, inhibit uncontrolled proliferation of the cancer cells and metastatic spread. Landmark achievements in molecular oncology have ushered in a new era and researchers have focused on identification of onc...
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Butt G, Farooqi AA, Adylova A, Attar R, Yilmaz S, Konysbayevna KK, Sabitaliyevich UY, Gasparri ML, Xu B Tags: Curr Top Med Chem Source Type: research

Biological evaluation of selected 1,2,3-triazole derivatives as antibacterial and antibiofilm agent.
ves F Abstract BACKGROUND: Resistance to antimicrobial agents is a major public health problem, being Staphylococcus aureus prevalent in infections in hospital and community environments and, admittedly, related to biofilm formation in biotic and abiotic surfaces. Biofilms form a complex and structured community of microorganisms surrounded by an extracellular matrix adhered to each other and to a surface that gives them even more protection and resistance to the action of antimicrobial agents, as well as against host defenses. METHODS: Aiming to control and solve these problems, our study sought to evaluate ...
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: André LSP, Pereira RFA, Pinheiro FR, Pascoal ACRF, Ferreira VF, de Carvalho da Silva F, Gonzaga DTG, Costa DCS, Ribeiro T, Sachs D, Aguiar-Alves F Tags: Curr Top Med Chem Source Type: research

Isothymusin, a potential inhibitor of cancer cell proliferation: An in silico and in vitro investigation.
CONCLUSION: Isothymusin showed antiproliferative and radical scavenging activity and could be taken up as a lead for further derivatization to prepare better analogues with improved anticancer potential. PMID: 32648844 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Singh S, Kumari P, Hussain Y, Luqman S, Meena A, Kanaojia D Tags: Curr Top Med Chem Source Type: research

Therapeutic targets and computational approaches on drug development for COVID-19.
Abstract World Health Organization declared coronavirus disease (COVID-19) caused by SARS coronavirus-2 (SARSCoV-2) as pandemic. Its outbreak started in China in Dec 2019 and rapidly spread across all over the world. SARS-CoV-2 infected more than 800,000 people and caused about 35,000 deaths so far and no approved drugs are available to treat COVID-19. Several investigations have been carried out to identify potent drugs to COVID-19 based on drug repurposing, potential novel compounds from ligand libraries, natural products, short peptides, and RNAseq analysis. This review is focused on three different aspects suc...
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Shanmugam A, Muralidharan N, Velmurugan D, Gromiha MM Tags: Curr Top Med Chem Source Type: research

Naldemedine: Peripherally-acting Opioid Receptor Antagonist for Treating Opioid-induced Adverse Effects.
Abstract Opioids are widely used for pain management in moderate-to-severe pain. However, opioids are associated with adverse events, such as constipation and emesis/vomiting. To reduce these undesired effects, a structure-activity relationship study of morphinan derivatives was conducted, and a promising lead compound with inhibitory effects on opioid receptors was obtained. Further improvement in the potency and pharmacokinetic profiles of the lead compound led to the discovery of naldemedine, which showed anti-constipation and anti-emetic effects against these adverse events that were induced by morphine withou...
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Inagaki M, Kanemasa T, Yokota T Tags: Curr Top Med Chem Source Type: research

Identification of Cancer Biomarkers in Human Body Fluids by Using Enhanced Physicochemical-incorporated Evolutionary Conservation Scheme.
CONCLUSION: The testing results promise a good generalization capability of our approach. PMID: 32648847 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - July 9, 2020 Category: Chemistry Authors: Zhang J, Zhang Y, Li Y, Guo S, Yang G Tags: Curr Top Med Chem Source Type: research

New Approaches for the Treatment of Mental Disorders Comorbid with Inflammatory Diseases.
PMID: 32613915 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - July 4, 2020 Category: Chemistry Authors: Sipahi H, Reininghaus E Tags: Curr Top Med Chem Source Type: research

Experimental and Computational Approaches to Improve Binding Affinity in Chemical Biology and Drug Discovery.
PMID: 32614747 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - July 1, 2020 Category: Chemistry Authors: Nayarisseri A Tags: Curr Top Med Chem Source Type: research

Identification and characterization of Lipopeptide Biosurfactant producing Microbacterium sp isolated from brackish river water.
CONCLUSION: The isolate was confirmed to be a novel Microbacterium species that could produce 0.461 gm biosurfactant in 100 ml of the medium throughout a life cycle and novel strain of isolate was deposited to NCBI as Microbacterium spp. ANSKSLAB01 using an accession number: KU179507. PMID: 32598258 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 28, 2020 Category: Chemistry Authors: Nayarisseri A, Khandelwal R, Singh SK Tags: Curr Top Med Chem Source Type: research

Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines.
CONCLUSION: Gram-negative and Gram-positive bacteria and fungi showed different response towards tested compounds, indicating that different substituents may lead to different modes of action or that the metabolism of some bacteria/fungi was better able to overcome the effect of the compounds or adapt to it. PMID: 32598259 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 28, 2020 Category: Chemistry Authors: Sirakanyan S N, Kartsev V G, Geronikaki A, Spinelli D, Petrou A, Hakobyan E K, Glamoclija Ja, Ivanov M, Sokovic M, Hovakimyan A A Tags: Curr Top Med Chem Source Type: research

Application of a Novel Metallomics Tool to Probe the Fate of Metal-Based Anticancer Drugs in Blood Plasma: potential, challenges and prospects.
Abstract Although metallodrugs are in use to treat a variety of human disorders and exhibit a remarkable diversity of therapeutic properties, they constitute only a tiny minority of all medicinal drugs that are currently on the market. This undesirable situation must be partially attributed to our general lack of understanding the fate of metallodrugs in the extremely ligand-rich environment of the bloodstream. The challenge of gaining insight into these bioinorganic processes can be overcome by the application of 'metallomics tools', which involve the analysis of a biological fluid (e.g. blood plasma) with a sepa...
Source: Current Topics in Medicinal Chemistry - June 27, 2020 Category: Chemistry Authors: Sarpong-Kumankomah S, Gailer J Tags: Curr Top Med Chem Source Type: research

Insights into nanotherapeutic strategies as an impending approach for liver cancer treatment.
Abstract Liver cancer being the utmost prevalent fatal malignancy worldwide is ranked as fifth leading cause of deaths associated with cancer. Patients with liver cancer are diagnosed often at advanced stage, contributing to poor prognosis. Of all forms of liver cancer, hepatocellular carcinoma (HCC) contribute to 90% of cases, with chemotherapy being the treatment of choice. However, unfavorable toxicity of chemotherapy drugs and vulnerability of nucleic acid based drugs to degradation, have limited their application in clinical settings. So, in order to improvise their therapeutic efficacy in HCC treatment vario...
Source: Current Topics in Medicinal Chemistry - June 24, 2020 Category: Chemistry Authors: Singh A, Shafi S, Upadhyay T, Najmi AK, Kohli K, Pottoo FH Tags: Curr Top Med Chem Source Type: research

Interaction of Platinum-based Drugs with Proteins: An Overview of Representative Crystallographic Studies.
Abstract Pt-based drugs are widely used in clinics for the treatment of cancer. The mechanism of action of these molecules rely on their interaction with DNA. However, the recognition of these metal compounds by proteins plays an important role in defining pharmacokinetics, side effects and their overall pharmacological profiles. Single crystal X-ray diffraction studies provided important information on the molecular mechanisms at the basis of this process. Here, the molecular structures of representative adducts obtained upon reaction with proteins of selected Pt-based drugs, including cisplatin, carboplatin and ...
Source: Current Topics in Medicinal Chemistry - June 24, 2020 Category: Chemistry Authors: Ferraro G, Loreto D, Merlino A Tags: Curr Top Med Chem Source Type: research

Current scenario of 1,3-oxazole derivatives for anticancer activity.
Abstract Cancer which has been cursed for human beings for long time is considered as one of the leading causes of morbidity and mortality across the world. In spite of different types of treatments available, chemotherapy is still deemed as a favored treatment for the cancer. Unfortunately, many currently accessible anticancer agents have developed multidrug resistance along with fatal adverse effects. Therefore, intensive efforts have been made to seek for new active drugs with improved anticancer efficacy and reduced adverse effects. In recent years, the emergence of heterocyclic ring-containing anticancer agen...
Source: Current Topics in Medicinal Chemistry - June 24, 2020 Category: Chemistry Authors: Yan X, Wen J, Zhou L, Fan L, Wang X, Xu Z Tags: Curr Top Med Chem Source Type: research

Recent Trends in Drug Design and Discovery.
Abstract Structure-based drug design is a wide area of identification of selective inhibitors of a target of interest. From the time of the availability of three dimensional structure of the drug targets, mostly, the proteins, many computational methods had emerged to address the challenges associated with drug design process. Particularly, drug-likeness, druggability of the target protein, specificity, off-target binding, etc., are the important factors to determine the efficacy of new chemical inhibitors. As the size of the biological data shows a continuous growth, new computational algorithms and analytical me...
Source: Current Topics in Medicinal Chemistry - June 22, 2020 Category: Chemistry Authors: Velmurugan D, Pachaiappan R, Ramakrishnan C Tags: Curr Top Med Chem Source Type: research

Indole alkaloids with potential anticancer activity.
Abstract Indole alkaloids which are abundance in nature are a significant source of pharmacologically active compounds. Indole alkaloids have the potential to exert the anticancer activity via various antiproliferative mechanisms, and some of them such as Vinblastine and Vincristine have already used in clinic or under clinical evaluations for the treatment of cancers. Therefore, indole alkaloids occupy an important position in the discovery of novel anticancer agents. This review emphasizes the recent development of indole alkaloids as potential anticancer agents, their structure-activity relationship and mechani...
Source: Current Topics in Medicinal Chemistry - June 22, 2020 Category: Chemistry Authors: Xu D, Xu Z Tags: Curr Top Med Chem Source Type: research

Host Defence Peptides in Medicinal Chemistry: Identification, Engineering, Characterization and Beyond.
PMID: 32538715 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 18, 2020 Category: Chemistry Authors: Arciello A Tags: Curr Top Med Chem Source Type: research

Review and Prospect of Tissue-agnostic targeted Strategies in Anticancer therapies.
In conclusion, the "tissue-agnostic targeted therapy" is a breakthrough in anticancer therapies. PMID: 32543358 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 16, 2020 Category: Chemistry Authors: Yu P, Hongxun T, Yuanqing G, Yuanyuan Y, Zhiyong C Tags: Curr Top Med Chem Source Type: research

A Multi-layered Variable Selection Strategy for QSAR Modeling of Butyrylcholinesterase Inhibitors.
CONCLUSION: Furthermore, molecular docking studies have been carried out to understand the molecular interactions between the ligand and receptor, and the results are then correlated with the structural features obtained from the QSAR models. The information obtained from the QSAR models are well corroborated with the results of the docking study. PMID: 32543359 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 16, 2020 Category: Chemistry Authors: Kumar V, De P, Ojha PK, Saha A, Roy K Tags: Curr Top Med Chem Source Type: research

Computer-Assisted Design of Thiophene-Indole Hybrids as Leishmanial Agents.
CONCLUSION: These results demonstrate the ability of Quantitative Structure-Activity Relationship (QSAR)-based rational drug design to predict molecules with promising leishmanicidal potential, and confirming the potential of thiophene-indole hybrids as potential new leishmanial agents. PMID: 32543360 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 16, 2020 Category: Chemistry Authors: Félix MB, de Araújo RSA, Barros RPC, de Simone CA, Rodrigues RRL, de Lima Nunes TA, da Franca Rodrigues KA, Junior FJBM, Muratov E, Scotti L, Scotti MT Tags: Curr Top Med Chem Source Type: research

Understanding the Monoclonal Antibody involvement in Targeting the Activation of Tumor Suppressor Genes.
Abstract Monoclonal antibodies (mAbs) have always provided outstanding therapeutic arsenal in the treatment of cancer, be it hematological malignancies or solid tumors. Monoclonal antibodies mediated targeting of cancer genes in general and tumor-suppressor genes in particular have appreciably allowed the possibilities of trafficking these antibodies to specific tumor mechanisms and aim for the pin-pointly maneuvered tumor treatment strategies. The conventional cancer treatment options are associated with enormous limitations like drug resistance, acute and pan-toxic side effects and collateral damage to other unr...
Source: Current Topics in Medicinal Chemistry - June 16, 2020 Category: Chemistry Authors: Mishra RK, Ahmad A, Vyawahare A, Kumar A, Khan R Tags: Curr Top Med Chem Source Type: research

Butterfly Structure: A Privileged Scaffold Targeting Tubulin-Colchicine Binding Site.
Abstract Butterfly-shaped structure, as a novel scaffold with an attractive and certain shape, have been widely used in new drug discovery. Tubulin, composing of α- and β-tubulin heterodimers, plays a key role in mitosis and cell division which are regarded as an excellent target for cancer therapy. Currently, a series of butterfly shape diaryl heterocyclic compounds have been reported with strong potential against tubulincolchicine binding site. It have one ring buried in the β subunit, another ring interacts with the α subunit and the main body is located in the flat pocket. Here, we firstl...
Source: Current Topics in Medicinal Chemistry - June 16, 2020 Category: Chemistry Authors: Wang Y, Yao Y, Zhu HL, Duan Y Tags: Curr Top Med Chem Source Type: research

Advances in Studies on Neurodegenerative Diseases and their Treatments.
PMID: 32529971 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 14, 2020 Category: Chemistry Authors: Gupta SP Tags: Curr Top Med Chem Source Type: research

PTML Modeling for Alzheimer's Disease: Design and Prediction of Virtual Multi-Target Inhibitors of GSK3B, HDAC1, and HDAC6.
CONCLUSION: This work opens new horizons toward the design of multi-target inhibitors for anti-Alzheimer therapies. PMID: 32515311 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 7, 2020 Category: Chemistry Authors: Kleandrova VV, Speck-Planche A Tags: Curr Top Med Chem Source Type: research

Computer-Aided Drug Design Applied to Secondary Metabolites as Anticancer Agents.
CONCLUSION: The great diversity of chemical structures (coumarin, flavonoids and alkaloids) with cancer properties, associated with infinite synthetic possibilities for obtaining analogous compounds, creates a huge chemical environment with potential to be explored, and creates a major difficulty, for screening studies to select compounds with more promising activity for a selected target. CADD techniques appear to be the least expensive and most efficient alternatives to perform virtual screening studies, aiming to selected compounds with better activity profiles and better "drugability". PMID: 32515312 [Pu...
Source: Current Topics in Medicinal Chemistry - June 7, 2020 Category: Chemistry Authors: de Araújo RSA, da Silva-Junior EF, de Aquino TM, Scotti MT, Ishiki HM, Scotti L, Mendonça-Junior FJB Tags: Curr Top Med Chem Source Type: research

Artificial Intelligence Based Design of Polymers and Metal Composites: A Perspective.
PMID: 32495725 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 5, 2020 Category: Chemistry Authors: Manuja A, Manuja M Tags: Curr Top Med Chem Source Type: research

Biological Functions of Polymers and Metal Composites.
PMID: 32495726 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 5, 2020 Category: Chemistry Authors: Kumar B, Manuja A Tags: Curr Top Med Chem Source Type: research

Modulation of Kinases by Small Molecules for Therapeutic Management of Various Diseases - Part I.
PMID: 32495727 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 5, 2020 Category: Chemistry Authors: Bharate SB Tags: Curr Top Med Chem Source Type: research

Computational evaluation and in vitro validation of new Epidermal Growth Factor Receptor inhibitors.
Gozalbes R Abstract The epidermal growth factor receptor (EGFR) is a transmembrane protein that acts as a receptor of extracellular protein ligands of the epidermal growth factor (EGF/ErbB) family. It has been shown that EGFR is overexpressed by many tumours and correlates with poor prognosis. Therefore, EGFR can be considered as a very interesting therapeutic target for the treatment of a large variety of cancers such as lung, ovarian, endometrial, gastric, bladder and breast cancers, cervical adenocarcinoma, malignant melanoma and glioblastoma. We have followed a structure-based virtual screening (SBVS) procedu...
Source: Current Topics in Medicinal Chemistry - June 3, 2020 Category: Chemistry Authors: Gómez-Ganau S, Castillo J, Cervantes A, de Julián Ortiz JV, Gozalbes R Tags: Curr Top Med Chem Source Type: research

Exploring the Potential of Neuroproteomics in Alzheimer's Disease.
af GM Abstract Alzheimer's disease (AD) is a progressive brain amyloidosis that damages brain regions associated with memory, thinking, behavioral and social skills. Neuropathologically AD is characterized by intraneuronal hyperphosphorylated tau inclusions as neurofibrillary tangles (NFTs), and buildup of extracellular amyloid beta (Aβ) peptide as senile plaques. Several biomarker tests capturing these pathologies have been developed. However, for the full clinical expression of the neurodegenerative events of AD, there are presence of other central molecular pathways. In terms of understanding the unidentif...
Source: Current Topics in Medicinal Chemistry - June 3, 2020 Category: Chemistry Authors: Uddin MS, Kabir MT, Jakaria M, Sobarzo-Sánchez E, Barreto GE, Perveen A, Hafeez A, Bin-Jumah MN, Abdel-Daim MM, Ashraf GM Tags: Curr Top Med Chem Source Type: research

Developing a Multi-target Model to Predict the Activity of Monoamine Oxidase A and B Drugs.
CONCLUSION: MAOIs are compounds of large interest since are largely used in the treatment of very serious illness. These inhibitors may lose efficacy and produce severe side effects. Due to this, development of selective MAO-A or MAO-B inhibitors is crucial for the treatment of these diseases and their effects. The herein proposed multi-target QSAR model may be a relevant tool in the development of new and more selective MAO inhibitors. PMID: 32493193 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 3, 2020 Category: Chemistry Authors: Concu R, González-Durruthy M, Cordeiro MNDS Tags: Curr Top Med Chem Source Type: research

Learning the Edit Costs of the Graph Edit Distance Applied to Ligand-Based Virtual Screening.
CONCLUSION: This study shows that the graph edit distance along with learned edit costs is useful to identify bioactivity similarities in a structurally diverse group of molecules. Furthermore, the target-specific edit costs might provide useful structure-activity information for future drug-design efforts. PMID: 32493194 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 3, 2020 Category: Chemistry Authors: Garcia-Hernandez C, Fernández A, Serratosa F Tags: Curr Top Med Chem Source Type: research

Antiproliferative activity of 8-methoxy ciprofloxacin-hydrozone/acylhydrazone scaffolds.
CONCLUSION: Compounds 5d and 5f showed promising anticancer activity, low cytotoxicity, and potential tubulin polymerization inhibitory activity, were worthy of investigation. Other: The structure-activity relationship was enriched. PMID: 32493190 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 2, 2020 Category: Chemistry Authors: Wang LP, Xu Z, Deng GY, Xu SL Tags: Curr Top Med Chem Source Type: research

Heart rate variability based prediction of personalized drug therapeutic response: the present status and the perspectives.
Abstract Heart rate variability (HRV) signals are reported associated with the personalized drug response in many diseases such as major depressive disorder, epilepsy, chronic pain, hypertension, etc. But the relationships between HRV signals and the personalized drug response in different diseases and patients are complex and remain unclear. With the fast development of modern smart sensor technologies and the popularization of big data paradigm, more and more data about the HRV and drug response will be available, it then provides great opportunities to build models for predicting the association of the HRV with...
Source: Current Topics in Medicinal Chemistry - June 2, 2020 Category: Chemistry Authors: Pei Z, Shi M, Guo J, Shen B Tags: Curr Top Med Chem Source Type: research

Emerging Proof of Protein Misfolding and Interaction in Multifactorial Alzheimer's Disease.
CONCLUSION: Examining the impact, as well as the consequences of protein misfolding, could help to uncover the molecular etiologies behind the complicated AD pathogenesis. PMID: 32479244 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - June 1, 2020 Category: Chemistry Authors: Uddin MS, Al Mamun A, Rahman MA, Behl T, Perveen A, Hafeez A, Bin-Jumah MN, Abdel-Daim MM, Ashraf GM Tags: Curr Top Med Chem Source Type: research

Tuning Down the Pain - an Overview of Allosteric Modulation of Opioid Receptors: Mechanisms of Modulation, Allosteric Sites, Modulator Syntheses..
iuk D Abstract Opioid signaling plays central role in pain perception. As such, it remains the main target in development of antinociceptive agents, despite serious side effects involved. In recent years, hopes for improved opioid painkillers are rising, together with our understanding of allosterism and biased signaling mechanisms. In this review we focus on recently discovered allosteric modulators of opioid receptors, insights into phenomena underlying their action, as well as on how they extend our understanding of mechanisms of previously known compounds. A brief overlook of their synthesis is also presented....
Source: Current Topics in Medicinal Chemistry - June 1, 2020 Category: Chemistry Authors: Bartuzia D, Wróbel TM, Kaczor AA, Matosiuk D Tags: Curr Top Med Chem Source Type: research

Structure-based Design on Anticancer Drug Discovery.
PMID: 32463006 [PubMed - in process] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - May 29, 2020 Category: Chemistry Authors: Zhong HA Tags: Curr Top Med Chem Source Type: research

New Experimental and Computational Tools for Drug Discovery. Part - IX.
lez-Díaz H PMID: 32442079 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - May 23, 2020 Category: Chemistry Authors: Gómez G, Fall Y, González-Díaz H Tags: Curr Top Med Chem Source Type: research

Biological Signatures of Disease in Neuro-Psychiatry as Inter-Theoretical Reduction.
PMID: 32442080 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - May 23, 2020 Category: Chemistry Authors: Stoyanov D Tags: Curr Top Med Chem Source Type: research

The Evolution of Computational Chemistry Along with Coronaviruses.
PMID: 32427084 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - May 18, 2020 Category: Chemistry Authors: Tou WI, Tam KW, Ng H Tags: Curr Top Med Chem Source Type: research

Novel Drugs Targeting the SARS-CoV-2/COVID-19 Machinery.
Abstract Like other human pathogenic viruses, coronavirus SARS-CoV-2 employs sophisticated macromolecular machines for viral host cell entry, genome replication and protein processing. Such machinery encompasses SARS-CoV-2 envelope spike (S) glycoprotein required for host cell entry by binding to the ACE2 receptor, viral RNA-dependent RNA polymerase (RdRp) and 3-chymotrypsin-like main protease (3Clpro/Mpro). Under the pressure of the accelerating COVID-19 pandemic caused by the outbreak of SARSCoV- 2 in Wuhan, China in December 2019, novel and repurposed drugs were recently designed and identified for targeting th...
Source: Current Topics in Medicinal Chemistry - May 16, 2020 Category: Chemistry Authors: Sternberg A, McKee DL, Naujokat C Tags: Curr Top Med Chem Source Type: research

Small Molecule CDK Inhibitors for the Therapeutic Management of Cancer.
Abstract Cyclin-dependent kinases (CDKs) is a group of multifunctional enzymes consisting of catalytic and regulatory subunits. The regulatory subunit, cyclin remain dissociated under normal circumstances, complexation of cyclin with the catalytic subunit of CDK leads to its activation for phosphorylation of protein substrates. The primary role of CDKs is in the regulation of the cell cycle. Retinoblastoma protein (Rb) is one of the widely investigated tumor suppressor protein substrate of CDK, which prevent cells from entering into cell-cycle under normal conditions. Phosphorylation of Rb by CDKs causes its inact...
Source: Current Topics in Medicinal Chemistry - May 16, 2020 Category: Chemistry Authors: Goel B, Tripathi N, Bhardwaj N, Jain SK Tags: Curr Top Med Chem Source Type: research

Glycogen Synthase Kinase 3 (GSK3): Its Role and Inhibitors.
Abstract Glycogen Synthase Kinase 3 (GSK3) is one of the Serine/Threonine protein kinases that has gained a lot of attention for its role in a variety of pathways. It has two isoforms, GSK3α and GSK3β. However, GSK3β is highly expressed in different areas of the brain and has been implicated in Alzheimer's disease as it is involved in tau phosphorylation. Due to its high specificity concerning substrate recognition, GSK3 has been considered as an important target. In the last decade, several GSK3 inhibitors have been reported and two molecules are in clinical trials. This review collates the inform...
Source: Current Topics in Medicinal Chemistry - May 16, 2020 Category: Chemistry Authors: Wadhwa P, Jain P, Jadhav HR Tags: Curr Top Med Chem Source Type: research

On the possible relevance of bottom-up pathways in the pathogenesis of Alzheimer's dementia.
Abstract Dementia is an increasing health problem in older aged populations worldwide. Age-related changes in the brain can be observed decades before the first symptoms of cognitive decline appear. Cognitive impairment has chronic inflammatory components, which can be enhanced by systemic immune activation. Mutual interferences between inflammation and cognitive deficits are suggested. Signs of an activated immune system namely increases in the serum concentrations of soluble biomarkers such as neopterin or accelerated tryptophan breakdown along the kynurenine axis develop in a significant proportion of patients ...
Source: Current Topics in Medicinal Chemistry - May 13, 2020 Category: Chemistry Authors: Leblhuber F, Steiner K, Geisler S, Fuchs D, Gostner JM Tags: Curr Top Med Chem Source Type: research

COVID-19 Pandemic - Are We Heading From Health Crisis Towards An Unprecedented Nutrition Crisis?
PMID: 32394840 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - May 10, 2020 Category: Chemistry Authors: Kumar Y, Jain A Tags: Curr Top Med Chem Source Type: research

COVID-19: An Update on Clinical Trials.
PMID: 32394841 [PubMed - as supplied by publisher] (Source: Current Topics in Medicinal Chemistry)
Source: Current Topics in Medicinal Chemistry - May 10, 2020 Category: Chemistry Authors: Kumar Y, Singh AK, Kumar S Tags: Curr Top Med Chem Source Type: research

Epidemiological Features of the 2019 Novel Coronavirus Outbreak in China.
Abstract The fast-growing outbreak of the 2019 novel coronavirus (2019-nCoV), which originated from Wuhan locating in central China at the end of 2019, spread to multiple cities in merely a month. Although the mortality of this disease was lower than that of SARS, the incredible contagiousness was much higher than SRAS-CoV. Because of the tremendous clout of 2019-nCoV, it is essential to hold more details about it and monitor its future evolution. This mini review consequently summarizes the key elements of epidemiology features, providing updated relevant findings and novel insights related to 2019-nCoV. PMI...
Source: Current Topics in Medicinal Chemistry - May 10, 2020 Category: Chemistry Authors: Qi Z, Yu Y Tags: Curr Top Med Chem Source Type: research

Nociceptin/orphanin FQ peptide receptor-related ligands as novel analgesics.
Abstract Despite similar distribution patterns and intracellular events observed in the nociceptin/orphanin FQ peptide (NOP) receptor and other opioid receptors, NOP receptor activation displays unique pharmacological profiles. Several researchers have identified a variety of peptide and non-peptide ligands to determine the functional roles of NOP receptor activation and observed that NOP receptorrelated ligands exhibit pain modality-dependent pain processing. Importantly, NOP receptor activation results in anti-nociception and anti-hypersensitivity at the spinal and supraspinal levels regardless of the experiment...
Source: Current Topics in Medicinal Chemistry - May 7, 2020 Category: Chemistry Authors: Kiguchi N, Ding H, Kishioka S, Ko MC Tags: Curr Top Med Chem Source Type: research