{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["25"],"submitter":["Raj R"],"pubmed_abstract":["<h4>Background</h4>The ORF1ab of Severe Acute Respiratory Syndrome, SARS Corona Virus, SARS-CoV-2 genome is processed into 15 non-structural proteins, NSPs by proteases and each NSP has a specific role in the life cycle and pathogenicity of the virus. This research analyzes possible drugs for these proteins as targets in computational drug designing using already available experimental drugs from the drug bank database.<h4>Methods</h4>Out of 471 proteins and 8820 drugs download from Protein Data Bank, PDB and Drug Bank database respectively, 16 proteins similar to NSP 1-15 and 31 drugs as per the \"Rule of three\" were selected for docking. Out of 88 docking results using PyRx, 18 proteins/chains with three promising drugs, DB01977, DB07132 and DB07535 were analyzed using PyMOL for final res"],"journal":["Biochemistry and biophysics reports"],"pagination":["100847"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC7750489"],"repository":["biostudies-literature"],"pubmed_title":["Analysis of non-structural proteins, NSPs of SARS-CoV-2 as targets for computational drug designing."],"pmcid":["PMC7750489"],"pubmed_authors":["Raj R"],"additional_accession":[]},"is_claimable":false,"name":"Analysis of non-structural proteins, NSPs of SARS-CoV-2 as targets for computational drug designing.","description":"<h4>Background</h4>The ORF1ab of Severe Acute Respiratory Syndrome, SARS Corona Virus, SARS-CoV-2 genome is processed into 15 non-structural proteins, NSPs by proteases and each NSP has a specific role in the life cycle and pathogenicity of the virus. This research analyzes possible drugs for these proteins as targets in computational drug designing using already available experimental drugs from the drug bank database.<h4>Methods</h4>Out of 471 proteins and 8820 drugs download from Protein Data Bank, PDB and Drug Bank database respectively, 16 proteins similar to NSP 1-15 and 31 drugs as per the \"Rule of three\" were selected for docking. Out of 88 docking results using PyRx, 18 proteins/chains with three promising drugs, DB01977, DB07132 and DB07535 were analyzed using PyMOL for final res","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Mar","modification":"2026-05-03T20:38:33.068Z","creation":"2021-02-21T08:59:29Z"},"accession":"S-EPMC7750489","cross_references":{"pubmed":["33364445"],"doi":["10.1016/j.bbrep.2020.100847"]}}