2020/07/28 by Ramachandran Vijayan, Vijayan, Ramachandran, Samudrala Gourinath +1
Biochemistry, Genetics and Molecular Biology · Medicine · #Biomolecules (q-bio.BM) #FOS: Biological sciences #Machine Learning in Bioinformatics #Mosquito-borne diseases and control #vaccines and immunoinformatics approaches
paper · pdf · doi:10.48550/arxiv.2007.14375
openalex publication_date 2020/07/28 · openalex created_date 2022/07/26 · openalex updated_date 2026/07/28
Coronaviruses are enveloped, non-segmented positive-sense RNA viruses that\nhave the largest genome among RNA viruses. The genome contains a large\nreplicase ORF encodes nonstructural proteins (NSPs), structural and accessory\ngenes. NSP15 is a nidoviral RNA uridylate-specific endoribonuclease (NendoU)\nhas C-terminal catalytic domain. The endoribonuclease activity of NSP15\ninterferes with the innate immune response of the host. Here, we screened\nSelleckchem Natural product database of compounds against the NSP15,\nThymopentin and Oleuropein showed highest binding energies. The binding of\nthese molecules was further validated by Molecular dynamic simulation and found\nvery stable complexes. These drugs might serve as effective counter molecules\nin the reduction of virulence of this virus. Future validation of both these\ninhibitors are worth consideration for patients being treated for COVID -19.\n