Corpus overview


Overview

MeSH Disease

HGNC Genes

SARS-CoV-2 proteins

NSP16 (1)

NSP10 (1)

NSP15 (1)

NSP3 (1)


Filter

Genes
Diseases
SARS-CoV-2 Proteins
    displaying 1 - 1 records in total 1
    records per page




    Molecular Docking, ADME Analysis, and Estimation of MM/GBSA Binding-Free Energies of Coumarin Derivatives as Potential Inhibitors of SARS CoV-2 Receptors

    Authors: Akhilesh Kumar Maurya; Nidhi Mishra

    doi:10.21203/rs.3.rs-25847/v1 Date: 2020-04-28 Source: ResearchSquare

    Coronavirus Disease ( COVID-19 MESHD) is recently declared pandemic (WHO) caused by Severe Acute Respiratory Syndrome Coronavirus 2 MESHD (SARS-CoV-2). Currently, there is no specific drug for the therapy of COVID-19 MESHD. In the present study, in silico study have been done to find out possible inhibitors of SARS CoV-2. Coumarin derivatives with 2755 compounds were virtually screen against methyltransferase-stimulatory factor complex of NSP16 PROTEIN and NSP10 PROTEIN, NSP15 PROTEIN Endoribonuclease, ADP ribose phosphatase ( ADRP HGNC)of NSP3 PROTEIN NSP3 HGNC and protease enzymes of SARS CoV-2. Docked top five compounds showed good docking scores and free energy of binding with the respective receptors. ADME/T analysis of docked compound shows the docked ligands are showing drug-likeness properties.

The ZB MED preprint Viewer preVIEW includes all COVID-19 related preprints from medRxiv and bioRxiv, from ChemRxiv, from ResearchSquare, from arXiv and from Preprints.org and is updated on a daily basis (7am CET/CEST).
The web page can also be accessed via API.

Sources


Annotations

All
None
MeSH Disease
HGNC Genes
SARS-CoV-2 Proteins


Export subcorpus as...

This service is developed in the project nfdi4health task force covid-19 which is a part of nfdi4health.

nfdi4health is one of the funded consortia of the National Research Data Infrastructure programme of the DFG.