机译：Investigation of the Potential Mechanism of Danggui Shaoyao San for the Treatment of Non-alcoholic Fatty Liver Disease (NAFLD) with Network Pharmacology and Molecular Docking
机译：Hispidin and Lepidine E: Two Natural Compounds and Folic Acid as Po- tential Inhibitors of 2019-novel Coronavirus Main Protease (2019-nCoVMpro), Molecular Docking and SAR Study
机译：A Comparative Study of 1D Descriptors Supported CoMFA and CoMSIA QSAR Models to Gain Novel Insights into 1,2,4-Triazoles Acting As Antitubercular Agents
机译：The Research of New Inhibitors of Bacterial Methionine Aminopeptidase by Structure Based Virtual Screening Approach of ZINC DATABASE and In Vitro Validation
机译：In silico Study and Solvent-free one-pot Synthesis of Tetrahydropyrimidine derivatives by Mechanochemistry Approach for Targeting Human Neutrophil Elastase against Lung Cancer
机译：Molecular Docking Based Analysis to Elucidate the DNA Topoisomerase II beta as the Potential Target for the Ganoderic Acid; A Natural Therapeutic Agent in Cancer Therapy
机译：Molecular Docking, Drug-Likeness and ADMET Analysis, Application of Density Functional Theory (DFT) and Molecular Dynamics (MD) Simula- tion to the Phytochemicals from Withania Somnifera as Potential Antago- nists of Estrogen Receptor Alpha (ER- alpha)
机译：Identification of Kaempferol as Viral Entry Inhibitor and DL-arginine as Viral Replication Inhibitor from Selected Plants of Indian Traditional Medicine against COVID-19: An in silico Guided in vitro Approach
机译：Employment of Quality by Design Approach via Response Surface Methodology to Optimize and Develop modified-release Formulation of Hydrochlorothiazide
机译：In silico Designing of Novel Inhibitors for Triple Inhibition of Aldose Reductase, Aldose Reductase Like Protein 1, and Aldehyde Reductase Bentham Science
机译：Integrating Bioinformatics and Network Pharmacology to Explore the Therapeutic Target and Molecular Mechanisms of Schisandrin on Hypertrophic Cardiomyopathy
机译：Molecular Docking, ADMET Analysis and Molecular Dynamics (MD) Simulation to Identify Synthetic Isoquinolines as Potential Inhibitors of SARS-CoV-2 M-PRO
机译：Design, Synthesis and In vitro Biological Activity of Some New 1,3- thiazolidine-4-one Derivatives as Chemotherapeutic Agents using Virtual Screening Strategies Bentham Science
机译：A New Class of Coumate Benzimidazole Hybrids as BRCA 1 Mimetics Through Unconventional Binding Mode; Synthesis and Preliminary Cytotoxicity Screening Bentham Science
机译：The Determination of Molecular and Toxicological Mechanisms of Cucur-bitacin E in Model Organism Drosophila melanogaster and Various Cancer Cell Lines: Molecular Modelling, Docking and Dynamic Simulation Studies
机译：Evaluation of Chemotherapeutic Activity of the Selected Bases' Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
机译：Structure Prediction of SPAK C-terminal Domain and Analysis of its Binding to RFXV/I Motifs by Homology Modelling, Docking and Molecu-lar Dynamics Simulation Studies
机译：Anti-tubercular Modelling via QSAR Approach, In Silico Design and Vir- tual Docking Screening of Designed Hypothetical Inhibitors Against DNA gyrase Protein
