[HTML][HTML] In silico evaluation of the effectivity of approved protease inhibitors against the main protease of the novel SARS-CoV-2 virus

P Eleftheriou, D Amanatidou, A Petrou, A Geronikaki - Molecules, 2020 - mdpi.com
… , DPP-4, α-thrombin and coagulation Factor Xa known inhibitors, with several of them …
promising in silico results may warrant further evaluation for viral anticipation. DPP-4 inhibitors with …

[HTML][HTML] In silico evaluation of prospective anti-COVID-19 drug candidates as potential SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman, KS Allemailem… - The Protein …, 2021 - Springer
… Here, in silico drug discovery tools were utilized to evaluate … against SARS-CoV-2 main
protease (M pro ). Molecular … protease drugs as prospective SARS-CoV-2 M pro inhibitors. …

In-silico identification and evaluation of plant flavonoids as dengue NS2B/NS3 protease inhibitors using molecular docking and simulation approach

MT ul Qamar, UA Ashfaq, K Tusleem… - Pakistan journal of …, 2017 - go.gale.com
… medicinal plants against DENV NS2B/NS3 Protease and to screen innovative flavonoids that
could aid in inhibition of the DENV infection. We also evaluated the drug capability and anti-…

[HTML][HTML] Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target

JT Ortega, ML Serrano, FH Pujol, HR Rangel - EXCLI journal, 2020 - ncbi.nlm.nih.gov
… In order to contribute with further studies related to developing more effective drugs, in this
work was evaluated a broad library of protease inhibitors available in the ZINC database (…

[HTML][HTML] In silico exploration of novel protease inhibitors against coronavirus 2019 (COVID-19)

E Aghaee, M Ghodrati, JB Ghasemi - Informatics in Medicine Unlocked, 2021 - Elsevier
… We employed virtual screening tools to search for new inhibitors to accelerate the drug … -2
main protease and ranked by their binding energy. Furthermore, in-silico ADME studies were …

[HTML][HTML] Assessing the potential of NS2B/NS3 protease inhibitors biomarker in curbing dengue virus infections: In silico vs. In vitro approach

H Norshidah, CH Leow, KE Ezleen… - Frontiers in cellular …, 2023 - frontiersin.org
… of NS2B/NS3 protease inhibitors recent development applying in vitro and in silico method.
… against NS2B/NS3pro were evaluated using a protease inhibition assay. Moreover, plaque, …

In silico evaluation of atazanavir as a potential HIV main protease inhibitor and its comparison with new designed analogs

M Yoosefian, MZ Moghani, A Juan - Computers in Biology and Medicine, 2022 - Elsevier
… the interactions between the inhibitor molecule and the vital … in silico evaluation of atazanavir
and its new ten designed analogs (protease inhibitors) was performed on the HIV protease (…

[HTML][HTML] Evaluating Known Zika Virus NS2B-NS3 Protease Inhibitor Scaffolds via In Silico Screening and Biochemical Assays

LH Santos, REO Rocha, DL Dias, BMRM Ribeiro… - Pharmaceuticals, 2023 - mdpi.com
… We used a ligand-based in silico approach to screen compounds that structurally resembled
ten known competitive inhibitors of NS2B-NS3pro but contained significant modifications. …

An in-silico evaluation of COVID-19 main protease with clinically approved drugs

W Tachoua, M Kabrine, M Mushtaq, Z Ul-Haq - Journal of molecular …, 2020 - Elsevier
… novel potent inhibitor, we performed blind docking studies on the main virus protease M pro
… and Mizolastine appear as potential inhibitors of this protease. When docked against M pro …

In silico design, drug-likeness and ADMET properties estimation of some substituted thienopyrimidines as HCV NS3/4A protease inhibitors

S Ejeh, A Uzairu, GA Shallangwa, SE Abechi - Chemistry Africa, 2021 - Springer
… as HCV NS3/4A protease inhibitors. We engaged in … virtual evaluation which shed more
light on the interaction of molecule 67, D3, and R with the target receptor (HCV NS3/4a protease