Article ; Online: Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics study.
Journal of biomolecular structure & dynamics
2020 Volume 40, Issue 9, Page(s) 3899–3906
Abstract: This research is a recent effort to explore some new heterocyclic compounds as novel and potential nonstructural protein-16-nonstructural protein-10 (Nsp16-Nsp10) inhibitors for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) inhibition. ...
| Abstract | This research is a recent effort to explore some new heterocyclic compounds as novel and potential nonstructural protein-16-nonstructural protein-10 (Nsp16-Nsp10) inhibitors for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) inhibition. The SARS-CoV-2 is causative agent of coronavirus disease 2019 (COVID-19) pandemic. A set of 58 molecules belongs to the naphthyridine and quinoline derivatives have been recently synthesized and considered for structure-based virtual screening against Nsp16-Nsp10. Molecular docking was virtually performed to screen for anti-SARS-CoV-2 activity against Nsp16-Nsp10. Fourteen out of fifty-eight compounds were exhibited binding affinity higher than co-crystal bound ligand s-adenosylmethionine (SAM) toward Nsp16-Nsp10. Further, the |
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| MeSH term(s) | COVID-19/drug therapy ; Humans ; Ligands ; Methyltransferases/chemistry ; Molecular Docking Simulation ; Naphthyridines/pharmacology ; SARS-CoV-2 ; Viral Nonstructural Proteins/chemistry | |||||
| Chemical Substances | Ligands ; Naphthyridines ; Viral Nonstructural Proteins ; Methyltransferases (EC 2.1.1.-) | |||||
| Language | English | |||||
| Publishing date | 2020-11-30 | |||||
| Publishing country | England | |||||
| Document type | Journal Article ; Research Support, Non-U.S. Gov't | |||||
| ZDB-ID | 49157-3 | |||||
| ISSN | 1538-0254 ; 0739-1102 | |||||
| ISSN (online) | 1538-0254 | |||||
| ISSN | 0739-1102 | |||||
| DOI | 10.1080/07391102.2020.1851305 | |||||
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| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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