Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations - Amin, Md R.; Yasmin, Farhana; Dey, Sujan; Mahmud, Shafi; Saleh, Md A.; Emran, Talha B.; Hasan, Imtiaj; Rajia, Sultana; Ogawa, Yukiko; Fujii, Yuki; Yamada, Masao; Ozeki, Yasuhiro; et al. (Glycoconjugate journal, 2022)
Keywords: Acylation; Anti-Bacterial Agents - pharmacology; Anti-Infective Agents - pharmacology; Antibacterial activity; Antifungal agents; Antimicrobial agents; Antiviral Agents - chemistry; Antiviral Agents - pharmacology; Biochemistry; Biological activity; Biomedical and Life Sciences; Computer applications; COVID-19; Esters; Esters - pharmacology; Free energy; Galactose; Humans; Hydrogen bonding; Life Sciences; Minimum inhibitory concentration; Molecular Docking Simulation; Molecular dynamics; Molecular Dynamics Simulation; Original; Original Article; Pathology; Peptide Hydrolases; Pharmacokinetics; Proteinase; Proteinase inhibitors; SARS-CoV-2; Severe acute respiratory syndrome coronavirus 2; Statistical analysis; Toxicity; Tribute to Professor Sen-itiroh Hakomori; Antimicrobial; Molecular dynamics; SARS-CoV-2 protease; Methyl β-D-galactopyranoside; Molecular docking; Pharmacokinetic