… inhibitors by focusing on non-peptidic non-covalent ligands. To this end, we have carried out
virtual screening … compounds for virtual screening, utilizing ligand- and target-based virtual …

… (b) non-peptidic small molecule based inhibitors identified … inhibitors of SARS-3CL pro , we
conducted a structure-based … whether the inhibitors identified in this virtual screening show …

… up a reliable integrated virtual screening workflow comprising of … different interactions with
potential inhibitors were identified. … , which could be important for inhibitor design; (ii) out of the …

… However, few non-peptidic inhibitors were reported and none of the … virtual screening in
combination with bioassay resulted in identification of multiple novel non-peptide inhibitors of …

… The present study highlights virtual screening strategies in identification of high affinity small
molecule non-peptidic inhibitors. Nutlin3A and RG7112 belonging to compound class of Cis…

… similarities of known nonpeptidic HRV 3CP inhibitors as well as … These virtual screening
processes were focused on … HRV 3CP inhibitor DB consisting of 30 peptidic and nonpeptidic …

… (43, 44) As a part of our efforts to discover nonpeptidic reversible inhibitors of FP-2, we
conducted SBVS against the crystal structure of FP-2 (PDB code: 2GHU) (45) using the Glide …

… Virtual screening was performed in an attempt to identify novel druglike nonpeptide inhibitors
of parasitic cysteine proteases. The ChemBridge database consisting of approximately 241 …

… non-peptidic immunoproteasome inhibitors as potential treatment for IPF. A structure-based
virtual screening … interaction mode of VS-7 proceeded, and a potent β5i inhibitor 54 (IC 50 …

… inhibitors … inhibitors with better efficacy are still urgently needed. The objective of this
study was to identify novel leads as potential allosteric inhibitors of CDK2 via virtual screening …