Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease
Rakesh S. Joshi, Shounak Jagdale, Sneha B. Bansode, S. Shiva Shankar, Meenakshi B. Tellis, Vaibhav Kumar Pandya, Anita Chugh, Ashok P. Giri, Mahesh J. Kulkarni
Abstract
. Intrestingly, these molecules also showed strong binding with other potential targets of SARS-CoV-2 infection like viral receptor human angiotensin-converting enzyme 2 (hACE-2) and RNA dependent RNA polymerase (RdRp). We anticipate that our approach for identification of multi-target-directed ligand will provide new avenues for drug discovery against SARS-CoV-2 infection.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
ProteaseCoronaviridaeBiologyCoronavirusVirologyDrug discoveryComputational biologyViral replicationRNA-dependent RNA polymeraseRNAVirusBiochemistryEnzymeCoronavirus disease 2019 (COVID-19)GeneMedicineInfectious disease (medical specialty)DiseasePathologyComputational Drug Discovery MethodsEssential Oils and Antimicrobial ActivityPhytochemicals and Medicinal Plants