The primary objective of this study is to investigate the antiviral effect of S-892216 in participants with coronavirus disease 2019 (COVID-19) due to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection.

Start Date10 Apr 2025

Sponsor / Collaborator

Shionogi & Co., Ltd.

NCT06751017

/ CompletedPhase 1

A Phase 1 Study to Assess the Effect of Carbamazepine on the Pharmacokinetics of S-892216 in Healthy Adult Participants

The primary objective of this study is to investigate the effect of multiple-dose administration of carbamazepine on the pharmacokinetics of S-892216 in healthy adults.

Start Date17 Dec 2024

Sponsor / Collaborator

Shionogi & Co., Ltd.

100 Clinical Results associated with SARS-CoV 3CLpro

100 Translational Medicine associated with SARS-CoV 3CLpro

0 Patents (Medical) associated with SARS-CoV 3CLpro

Literatures (Medical) associated with SARS-CoV 3CLpro

01 Feb 2024·Journal of Infection

Novel small-molecule inhibitors of SARS-CoV-2 main protease with nanomolar antiviral potency

Letter

Author: Zhang, Haoran ; Guo, Meng ; Hu, Bing ; Qian, Mengfei ; Cai, Kun ; Gao, Fan ; Wu, Jim Zhen ; Xiao, Junfeng ; Zhou, Kangping ; Zou, Gang ; Gao, Zhao ; Peng, Fei ; Wu, Jin ; Song, Guowei ; Peng, Cheng ; Chun, Sophia ; Pan, Kai ; Li, Yan

20 Dec 2023·Journal of the American Chemical Society

A Chemical Strategy for the Degradation of the Main Protease of SARS-CoV-2 in Cells

Article

Author: Zhou, Jiao ; Wang, Juan ; An, Jing ; Sang, Xiaohong ; Xu, Yan ; Huang, Ziwei ; Warshel, Arieh

SARS-CoV-2 is the virus that causes the global pandemic of COVID-19. The main protease (M^pro) of SARS-CoV-2 is essential for viral infection and is one of the major therapeutic targets for COVID-19. Here, we report the design, synthesis, and biological characterization of a novel heterobifunctional small molecule that could effectively induce the degradation of SARS-CoV-2 M^pro and its drug-resistant mutants in HEK 293T cells, thus demonstrating a new alternative strategy for intervening with proteins important for this novel coronavirus.

26 Dec 2022·Journal of Biomolecular Structure and Dynamics

QSAR, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective benzotriazole-based SARS-CoV 3CL protease inhibitors

Article

Author: D’Souza, Sofia ; K V, Prema ; Balaji, S.

The 3CL Protease of severe acute respiratory syndrome coronavirus (SARS-CoV), responsible for viral replication, has emerged as an essential target for designing anti-coronaviral inhibitors in drug discovery. In recent years, small molecule and peptidomimetic inhibitors have been used to target the inhibition of SARS-CoV 3CL Protease. In this study, we have developed 2D and 3D Quantitative structure activity relationship (QSAR) models on 3CL protease inhibitors with good predictive capability to propose inhibitors with improved affinities. Based on the 3 D contour maps, three new inhibitors were designed in silico, which were further subjected to molecular docking to explore their binding modes. The newly designed compounds showed improved interaction energies toward SARS-CoV-3CLPro due to additional interactions with the active site residues. The molecular docking studies of the most potent compounds revealed specific interactions with Glu 166 and Cys 145. Furthermore, absorption, distribution, metabolism, elimination (ADME) and drug-likeness evaluation revealed improved pharmacokinetic properties for these compounds. The molecular dynamics simulations confirmed the stability of the interactions identified by docking. The results presented would guide the development of new 3CL protease inhibitors with improved affinities in the future.Communicated by Ramaswamy H. Sarma.

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