These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Manuscript_pocketome.pdf (5.71 MB)
SARS-CoV-2 Pocketome: Severe Acute Respiratory Syndrome Coronavirus 2, Pockets Identification for Antiviral & Antimicrobial Phytomolecules and Drug Repurposing
Preprints are manuscripts made publicly available before they have been submitted for formal peer review and publication. They might contain new research findings or data. Preprints can be a draft or final version of an author's research but must not have been accepted for publication at the time of submission.
submitted on 21.06.2020 and posted on 23.06.2020by Akhil Kumar, Ajit Kumar Shasany
According to WHO, the current Coronavirus disease situation is 8,506,107 confirmed
and 455,231 death cases in approx 216 Countries, areas, or territories. For the treatment of Severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) drug repurposing seems to be an effective
strategy as it could shorten the time and reduce the cost compared to de novo
drug discovery. For that, we need to identify target binding sites. Thus, we
have reported for the first time structural druggability assessment for
SARS-CoV-2 proteome a pan-druggability prediction based on the open-source
pocket detection code fpocket and rank them on the basis of druggability score.
We have identified in a total of 433 pockets on the SARS-CoV-2 proteome and
characterized by physicochemical descriptors. In which, 47 pockets identified
as druggable and 71 as potential drug-binding pockets.