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المؤلفون: Arthi Venkatesan, Anantha Krishnan Dhanabalan, Selvakumar Rajendran, Shyamala Gowri Shanmugasundharam, Krishnasamy Gunasekaran, J. Febin Prabhu Dass
المصدر: Journal of Cellular Biochemistry. 123:1366-1380
مصطلحات موضوعية: Molecular Docking Simulation, Viral Proteases, Humans, Protease Inhibitors, Hepacivirus, Cell Biology, Hepatitis C, Chronic, Viral Nonstructural Proteins, Antiviral Agents, Hepatitis C, Molecular Biology, Biochemistry, Peptide Hydrolases
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2
المؤلفون: Krishnasamy Gunasekaran, Anantha Krishnan Dhanabalan, Devadasan Velmurugan, Mamangam Subaraja, Kuppusamy Palanichamy
المصدر: ACS Chemical Neuroscience. 12:3690-3707
مصطلحات موضوعية: Monoamine Oxidase Inhibitors, Physiology, Monoamine oxidase, Cognitive Neuroscience, Machine learning, computer.software_genre, Biochemistry, Molecular mechanics, Neuroprotection, Machine Learning, In vivo, Molecular descriptor, Animals, Humans, Monoamine Oxidase, Virtual screening, Chemistry, business.industry, Bayes Theorem, Esters, Neurodegenerative Diseases, Cell Biology, General Medicine, Molecular Docking Simulation, Monoamine neurotransmitter, Monoamine oxidase B, Artificial intelligence, business, computer
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3
المؤلفون: Krishnasamy Gunasekaran, Anantha Krishnan Dhanabalan, Ramesh Kandimalla, Devaraj Sankarganesh, Nandha Devi Elangovan
المصدر: Journal of Biomolecular Structure and Dynamics. 39:7065-7079
مصطلحات موضوعية: Drug, 0303 health sciences, 2019-20 coronavirus outbreak, Virtual screening, Glycogen Synthase Kinase 3 beta, business.industry, media_common.quotation_subject, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), 030303 biophysics, General Medicine, Computational biology, Disease, Molecular Dynamics Simulation, Molecular Docking Simulation, 03 medical and health sciences, Molecular dynamics, Alzheimer Disease, Structural Biology, Docking (molecular), GSK-3, Humans, Medicine, business, Molecular Biology, media_common
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4
المؤلفون: Elangovan Vellaichamy, Hemanta K. Majumder, Jayachandran Karunakaran, Saleem Iqbal, Nachiappan Dhatchana Moorthy, Arasambattu K. Mohanakrishnan, Somenath Roy Chowdhury, Krishnasamy Gunasekaran
المصدر: ChemMedChem. 14:1418-1430
مصطلحات موضوعية: Antineoplastic Agents, Apoptosis, Thiophenes, 01 natural sciences, Biochemistry, Structure-Activity Relationship, chemistry.chemical_compound, Drug Discovery, Humans, General Pharmacology, Toxicology and Pharmaceutics, Cytotoxicity, Clonogenic assay, Cell Proliferation, Pharmacology, chemistry.chemical_classification, Molecular Structure, 010405 organic chemistry, Kinase, Organic Chemistry, HCT116 Cells, 0104 chemical sciences, Molecular Docking Simulation, Checkpoint Kinase 2, 010404 medicinal & biomolecular chemistry, Enzyme, chemistry, Cell culture, Colonic Neoplasms, Cancer cell, Molecular Medicine, Drug Screening Assays, Antitumor, Divergent synthesis, DNA
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5
المؤلفون: Rajendran Selvakumar, Dhanabalan Anantha Krishnan, Chandrasekaran Ramakrishnan, Krishnasamy Gunasekaran, Devadasan Velmurugan
المصدر: Journal of Biomolecular Structure and Dynamics. 38:682-696
مصطلحات موضوعية: Models, Molecular, chemistry.chemical_classification, Virtual screening, Quantitative structure–activity relationship, Stereochemistry, Drug Evaluation, Preclinical, NADPH Dehydrogenase, Quantitative Structure-Activity Relationship, Reproducibility of Results, Hydrogen Bonding, General Medicine, Quinone oxidoreductase, NAD(P)H Dehydrogenase (Quinone), Molecular Docking Simulation, chemistry, Structural Biology, Docking (molecular), Oxidoreductase, Drug Design, Thermodynamics, NAD+ kinase, Enzyme Inhibitors, Pharmacophore, Hydrophobic and Hydrophilic Interactions, Molecular Biology
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6
المؤلفون: Krishnasamy Gunasekaran, A. Anita Margret, Aishwarya S
المصدر: Journal of Biomolecular Structure & Dynamics
article-version (VoR) Version of Record
Journal of Biomolecular Structure and Dynamicsمصطلحات موضوعية: Digoxin, lncRNAs, Computational biology, Structural Biology, microRNA, Gene expression, Humans, Hox gene, differential gene expression, Transcription factor, Gene, Molecular Biology, biology, SARS-CoV-2, Gene Expression Profiling, Computational gene, COVID-19, General Medicine, bioconductor, drug perturbations, COVID-19 Drug Treatment, Gene expression profiling, Molecular Docking Simulation, MicroRNAs, Histone, Proscillaridin, miRNAs, biology.protein, Biomarkers, Research Article
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7
المؤلفون: N.H.V. Kutumbarao, Devadasan Velmurugan, R. Manohar, Krishnasamy Gunasekaran, Raghavendra Sashi Krishna Nagampalli
المصدر: Biochemical and Biophysical Research Communications. 495:679-685
مصطلحات موضوعية: 0301 basic medicine, Proteases, Protein Conformation, Stereochemistry, Succinic Acid, Biophysics, Biochemistry, Substrate Specificity, Serine, Structure-Activity Relationship, 03 medical and health sciences, chemistry.chemical_compound, Cysteine Proteases, Enzyme Stability, Catalytic triad, medicine, Enzyme Inhibitors, Molecular Biology, Histidine, Serine protease, Binding Sites, 030102 biochemistry & molecular biology, biology, Cell Biology, Ligand (biochemistry), Trypsin, Enzyme Activation, Molecular Docking Simulation, 030104 developmental biology, Models, Chemical, chemistry, Succinic acid, biology.protein, Serine Proteases, Protein Binding, medicine.drug
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8
المصدر: Journal of Biomolecular Structure and Dynamics. 36:1306-1328
مصطلحات موضوعية: 0301 basic medicine, 030103 biophysics, Poly ADP ribose polymerase, Molecular Conformation, Nicotinamide phosphoribosyltransferase, Quantitative Structure-Activity Relationship, Molecular Dynamics Simulation, 03 medical and health sciences, chemistry.chemical_compound, Biosynthesis, Structural Biology, Catalytic Domain, Drug Discovery, Ribose, Amino Acids, Enzyme Inhibitors, Nicotinamide Phosphoribosyltransferase, Molecular Biology, Polymerase, chemistry.chemical_classification, Binding Sites, biology, Hydrogen Bonding, General Medicine, Molecular Docking Simulation, 030104 developmental biology, Enzyme, chemistry, Biochemistry, Cancer cell, biology.protein, NAD+ kinase, Protein Binding
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9
المؤلفون: Nachiappan Dhatchana Moorthy, Elangovan Vellaichamy, Arasambattu K. Mohanakrishnan, Krishnasamy Gunasekaran, Bose Muthu Ramalingam, Saleem Iqbal
المصدر: PLoS ONE
PLoS ONE, Vol 13, Iss 9, p e0202903 (2018)مصطلحات موضوعية: 0301 basic medicine, Cell cycle checkpoint, Transcription, Genetic, Drug Evaluation, Preclinical, lcsh:Medicine, Apoptosis, 01 natural sciences, Biochemistry, Indole Alkaloids, Fluorescence Microscopy, Medicine and Health Sciences, Cytotoxic T cell, Cell Cycle and Cell Division, lcsh:Science, Cytotoxicity, Staining, DNA cleavage, Microscopy, Multidisciplinary, Cell Death, Molecular Structure, Chemistry, Pharmaceutics, Cell Staining, Light Microscopy, Cell cycle, Nucleic acids, Molecular Docking Simulation, Cell Processes, Physical Sciences, Colonic Neoplasms, medicine.drug, Research Article, Bromides, Cyclin-Dependent Kinase Inhibitor p21, DNA damage, Cell Survival, Antineoplastic Agents, Research and Analysis Methods, 03 medical and health sciences, Drug Therapy, Cell Line, Tumor, medicine, Genetics, Humans, Biology and life sciences, Dose-Response Relationship, Drug, 010405 organic chemistry, lcsh:R, Chemical Compounds, DNA, Cell Biology, Cell Cycle Checkpoints, Molecular biology, 0104 chemical sciences, 030104 developmental biology, Cell culture, Specimen Preparation and Treatment, lcsh:Q, Camptothecin
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10
المصدر: Journal of biomolecular structuredynamics. 36(15)
مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, alpha-Helical, 030103 biophysics, Quantitative structure–activity relationship, Gene Expression, Quantitative Structure-Activity Relationship, Computational biology, Pharmacology, Molecular Dynamics Simulation, Ligands, Serine, 03 medical and health sciences, Structural Biology, Alzheimer Disease, Catalytic Domain, medicine, Humans, Protein Interaction Domains and Motifs, Pyrroles, Molecular Biology, Protein Kinase Inhibitors, Protein kinase C, Nootropic Agents, Virtual screening, Kinase, Chemistry, Hydrogen Bonding, General Medicine, medicine.disease, High-Throughput Screening Assays, Molecular Docking Simulation, Kinetics, 030104 developmental biology, Docking (molecular), Protein Kinase C-theta, Drug Design, Thermodynamics, Protein Conformation, beta-Strand, Tauopathy, Pharmacophore, Databases, Chemical, Protein Binding