Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations.

Dhameliya, Tejas M; Nagar, Prinsa R; Gajjar, Normi D

Dhameliya, Tejas M; Nagar, Prinsa R; Gajjar, Normi D.

Affiliation

Dhameliya TM; L. M. College of Pharmacy, Navrangpura, Ahmedabad, Gujarat, 380009, India. tejas.dhameliya@lmcp.ac.in.
Nagar PR; L. M. College of Pharmacy, Navrangpura, Ahmedabad, Gujarat, 380009, India.
Gajjar ND; L. M. College of Pharmacy, Navrangpura, Ahmedabad, Gujarat, 380009, India.

Mol Divers ; 26(5): 2775-2792, 2022 Oct.

Article in En | MEDLINE | ID: mdl-35132518

Subject(s)

COVID-19 Drug Treatment; Nucleic Acids; Amino Acids; Antiviral Agents/chemistry; Antiviral Agents/pharmacology; Glycoproteins; Humans; Molecular Docking Simulation; Molecular Dynamics Simulation; SARS-CoV-2; Spike Glycoprotein, Coronavirus/chemistry; Spike Glycoprotein, Coronavirus/metabolism

Key words

COVID-19; MD simulations; Molecular docking; SARS CoV-2; Spike glycoprotein

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Nucleic Acids / COVID-19 Drug Treatment Type of study: Diagnostic_studies / Prognostic_studies / Screening_studies Limits: Humans Language: En Journal: Mol Divers Journal subject: BIOLOGIA MOLECULAR Year: 2022 Document type: Article Affiliation country: India Country of publication: Netherlands

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