Phytochemicals from Selective Plants Have Promising Potential against SARS-CoV-2: Investigation and Corroboration through Molecular Docking, MD Simulations, and Quantum Computations - Hussain, Waqar; Yasmin, Farkhanda; Majeed, Arshia; Kousar, Kafila; Rasool, Nouman (BioMed research international, 2020)
Keywords: Adenosine Monophosphate - analogs & derivatives; Adenosine Monophosphate - chemistry; Adenosine Monophosphate - pharmacology; Alanine - analogs & derivatives; Alanine - chemistry; Alanine - pharmacology; Analysis; Antimetabolites - chemistry; Antimetabolites - pharmacology; Antiviral Agents - chemistry; Antiviral Agents - pharmacology; Binding; Biomedical research; China - epidemiology; Coronaviridae; Coronaviruses; COVID-19 - epidemiology; COVID-19 - virology; COVID-19 Drug Treatment; Deoxyribonucleic acid; Dioxolanes - chemistry; Dioxolanes - pharmacology; DNA; DNA helicase; Enzymes; Evanescence; Fluoroquinolones - chemistry; Fluoroquinolones - pharmacology; Genomes; Health aspects; Humans; Infections; Ligands; Methods; Methyltransferase; Methyltransferases - drug effects; Molecular docking; Molecular Docking Simulation; Molecular dynamics; Nelfinavir - chemistry; Nelfinavir - pharmacology; Nonstructural proteins; Pandemics; Pathogenesis; Pharmacokinetics; Pharmacology; Phytochemicals; Phytochemicals - chemistry; Phytochemicals - pharmacology; Piperazines - chemistry; Piperazines - pharmacology; Polarity; Protein Conformation; Proteins; Quantum computing; Respiratory diseases; Ribonucleic acid; RNA; RNA Helicases - drug effects; RNA polymerase; SARS-CoV-2 - chemistry; SARS-CoV-2 - drug effects; SARS-CoV-2 - isolation & purification; SARS-CoV-2 - metabolism; Severe acute respiratory syndrome; Severe acute respiratory syndrome coronavirus 2; Simulation; Topoisomerase II Inhibitors - chemistry; Topoisomerase II Inhibitors - pharmacology; Vaccines; Viral diseases; Viral infections; Viral Nonstructural Proteins - chemistry; Viral Nonstructural Proteins - metabolism; Virulence; Viruses; China; Pakistan