A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): <i>in silico</i> and <i>in vitro</i> investigations
Sumit Kumar, Yash Gupta, Samantha E. Zak, Charu Upadhyay, Neha Sharma, Andrew S. Herbert, Ravi Durvasula, Vladimir Potemkin, John M. Dye, Poonam Poonam, Prakasha Kempaiah, Brijesh Rathi
Abstract
of 4.97 μM and 8.46 μM in viral entry and spread assay, respectively. Therefore, this novel class of NendoU inhibitor could provide new insights for the development of treatment options for COVID-19.
Topics & Concepts
Virtual screeningPiperazineIn vitroChemistryIn silicoEndoribonucleaseActive siteLead compoundEnzymeDocking (animal)PharmacologyDrug discoveryBiochemistryStereochemistryBiologyRNAMedicineRNase PGeneNursingMosquito-borne diseases and controlSARS-CoV-2 and COVID-19 ResearchPARP inhibition in cancer therapy