Conference on Drug Design and Discovery Technologies (eBook)

Part 1: Structure Based Drug Design Approach; MOLECULAR DYNAMICS SIMULATIONS ON BACILLUS SUBTILIS EngA – FOR EXPLORING NUCLEOTIDE DEPENDENT CONFORMATIONS; ERRORS MADE IN AB INITIO+ HOMOLOGY-BASED PROTEIN STRUCTURE PREDICTION TOOLS ARISE DUE TO LACK OF CONSIDERATION OF IMPACT FORCES; PARADIGM SHIFT IN RESEARCH FOCUS: COMPUTATIONAL SOFTWARES IN CANCER BIOLOGY; VIRTUAL SCREENING OF BIO-ACTIVE COMPOUNDS AS AN INHIBITOR OF C-FLIP PROTEIN FOR CANCER TREATMENT; FRAGMENT-BASED DESIGN OF NOVEL INHIBITORS OF HPV 16 E6 ONCOPROTEIN: MOLECULAR DOCKING, MOLECULAR DYNAMICS SIMULATION AND IN SILICO ADME ANALYSIS; DESIGN AND SYNTHESIS OF NOVEL POLY ADP-RIBOSE POLYMERASE 1 (PARP1) INHIBITORS FOR THE TREATMENT OF SOLID TUMORS; IN SILICO EVALUATION OF THE ROLE OF PHYTOCHEMICALS IN ALZHEIMER’S DISEASE THROUGH WNT SIGNALING MODULATION; IDENTIFICATION OF POTENTIAL VEGFR2 INHIBITORS EMPLOYING E-PHARMACOPHORE MODEL, VIRTUAL SCREENING, MOLECULAR DYNAMIC SIMULATION AND ADME ANALYSIS; DEVELOPMENT OF NEW NEPRILYSIN INHIBITOR AS A MODULATOR OF CHRONIC KIDNEY AND HEART DISEASE USING IN SILICO DRUG REPURPOSING APPROACH; ANTICANCER POTENTIAL OF PHYTOCONSTITUENTS MODULATING NA/ K ATPASE PUMP; A NOVEL REPURPOSING STRATEGY; IN SILICO HIT IDENTIFICATION, DRUG REPURPOSING, PHARMACOKINETIC AND TOXICITY PREDICTION OF c-MET KINASE INHIBITORS FOR CANCER THERAPY; DESIGN OF POTENT TELOMERASE INHIBITORS USING STRUCTURE BASED APPROACHES; MOLECULAR DOCKING BASED SCREENING OF “NITROGEN CONTAINING BISPHOSPHONATE CONJUGATE WITH HYDROXYAPETITE” ACTIVE CONSTITUENTS TOWARDS MELVONATE PATHWAY IN FINDING POTENT INHIBITORS FOR ANTI-OSTEOPOROTIC ACTIVITY; ZANAPEZIL, A POTENTIAL REPURPOSABLE DRUG AGAINST HUNTINGTON DISEASE: AN IN SILICO FORECAST; DRUG REPURPOSING FOR HEPATOCELLULAR CARCINOMA VIA VIRTUAL SCREENING INTEGRATED WITH BIOINFORMATICS ANALYSIS; AN IN SILICO TARGET SPECIFIC DRUG REPURPOSING APPROACH FOR MULTIPLE SCLEROSIS; Part 2: Structure Based Drug Design and Biological Evaluation; DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF 3-PHENYLISOXAZOLO[5,4-D]PYRIMIDINE DERIVATIVES AS ANTICANCER AGENTS.; QSAR AND DOCKING STUDIES ON TRIAZOLE BENZENE SULFONAMIDES WITH HUMAN CARBONIC ANHYDRASE IX INHIBITORY ACTIVITY; DESIGN AND SYNTHESIS OF SOME NOVEL ERLOTINIB DERIVATIVES AS POTENTIAL EGFR KINASE INHIBITORS; DESIGN, SYNTHESIS AND CHARACTERIZATION OF NOVEL SERIES OF 1,3-THIAZOLE CONTAINING HETEROCYCLES AS INHIBITORS OF DHFR FOR USE AS ANTICANCER AGENTS; IN SILICO AND IN VITRO STUDIES OF BENZOHYDRAZIDE ANALOGUES AS POTENT ANDROGEN RECEPTOR ANTAGONIST; DESIGN, MOLECULAR DOCKING, SYNTHESIS AND ANTI-FUNGAL ACTIVITY OF NOVEL BENZIMIDAZOLE DERIVATIVES; SYNTHESIS, ANTIOXIDANT ACTIVITY AND COMPUTATIONAL STUDIES OF 2-SUBSTITUTED-L-THIAPROLINES; DESIGN, SYNTHESIS, CHARACTERISATION AND ANTIFUNGAL ACTIVITY OF NOVEL PYRIMIDONE DERIVATIVES; Part 4: Chemical Synthesis and Biological Evaluation; MICROWAVE-ASSISTED SYNTHESIS OF 4-BENZYLIDENE-2-(2-FLUOROPHENYL) OXAZOL-5(4H)-ONE DERIVATIVES CATALYSED BY EGG SHELL POWDER AND EVALUATION OF THEIR ANTI-MICROBIAL ACTIVITY; SYNTHESIS OF OXAZOLOQUINOLONE DERIVATIVES AND EVALUATION OF THEIR POTENCY TO REACTIVATE RAT BRAIN ACETYLCHOLINESTERASE INHIBITED BY CHLORPYRIFOS; Part 5: