N Tripathi, N Tripathi, MK Goshisht - Molecular Diversity, 2022 - Springer
… explore structure-assisted drugdesign strategies and inhibitors to target COVID-19 M pro . … drug targets and anti-COVID-19drugs (by drug repurposing). Mechanisms of COVID-19-…
… , within an AI framework will help the in silico drugdesign process to be faster and less costly, … for COVID-19 Antiviral Molecule Design. Given the urgency with the ongoing COVID19 …
… the structure-based design of a preliminary drug candidate against COVID-19 using free … -based drugdesign and to allow others to unleash their own creativity to design new drugs to …
… To test the performance of our model for COVID-19drugdesign, we consider a SARS-CoV BA dataset, which contains 185 |$M^{pro}$|-ligand complexes and their experimental binding …
Z Jin, X Du, Y Xu, Y Deng, M Liu, Y Zhao, B Zhang, X Li… - 2020 - pesquisa.bvsalud.org
… A new coronavirus (CoV) identified as COVID-19 virus is the … drugdesign, virtual drug screening and high-throughput screening to identify new drug leads that target the COVID-19 virus …
N Sepay, PC Saha, Z Shahzadi… - Physical Chemistry …, 2021 - pubs.rsc.org
… To find effective molecules for COVID-19 inhibition, we have quantitatively investigated 143 X-ray crystal structures of the SARS-CoV-2 M pro protein of coronavirus with covalently or …
… global COVID-19 pandemic (as WHO's declaration) and the high demand for new drug … recently is considered for structure-based drugdesign efforts. To make screening effective and …
… de novo drugdesign for COVID-19 pharmaceutical research. … , repurpose drugs, find novel drug targets, and design novel … of de novo drugdesign since the COVID-19 pandemic started. …
D Iacopetta, J Ceramella, A Catalano, C Saturnino… - Viruses, 2022 - mdpi.com
… Coronavirus family which caused the worldwide pandemic of human respiratory illness coronavirus disease 2019 (COVID-19)… to date, about twenty COVID-19 vaccines approved for use …