[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 …
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
… 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. …
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-…
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
… 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 (…
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 …
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, …
… 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 (…
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
… 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. …
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 …
… 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
… 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 …
light on the interaction of molecule 67, D3, and R with the target receptor (HCV NS3/4a protease …
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