Cargando…

In Silico Screening, Alanine Mutation, and DFT Approaches for Identification of NS2B/NS3 Protease Inhibitors

To identify the ligand that binds to a target protein with high affinity is a nontrivial task in computer-assisted approaches. Antiviral drugs have been identified for NS2B/NS3 protease enzyme on the mechanism to cleave the viral protein using the computational tools. The consequence of the molecula...

Descripción completa

Detalles Bibliográficos
Autores principales:	Balajee, R., Srinivasadesikan, V., Sakthivadivel, M., Gunasekaran, P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Hindawi Publishing Corporation 2016
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4785246/ https://www.ncbi.nlm.nih.gov/pubmed/27057355 http://dx.doi.org/10.1155/2016/7264080

Ejemplares similares

Evaluating Known Zika Virus NS2B-NS3 Protease Inhibitor Scaffolds via In Silico Screening and Biochemical Assays
por: Santos, Lucianna H., et al.
Publicado: (2023)

Zika Virus Targeting by Screening Inhibitors against NS2B/NS3 Protease
por: Choudhry, Hani, et al.
Publicado: (2019)

Assessing the potential of NS2B/NS3 protease inhibitors biomarker in curbing dengue virus infections: In silico vs. In vitro approach
por: Norshidah, Harun, et al.
Publicado: (2023)

Phosphonate inhibitors of West Nile virus NS2B/NS3 protease
por: Skoreński, Marcin, et al.
Publicado: (2018)

Design of New Competitive Dengue Ns2b/Ns3 Protease Inhibitors—A Computational Approach
por: Frimayanti, Neni, et al.
Publicado: (2011)

Development of NS2B-NS3 protease inhibitor that impairs Zika virus replication()
por: Lin, Wen-Wei, et al.
Publicado: (2023)

Allosteric Inhibitors of Zika Virus NS2B-NS3 Protease Targeting Protease in “Super-Open” Conformation
por: Meewan, Ittipat, et al.
Publicado: (2023)

Identification of NS2 determinants stimulating intrinsic HCV NS2 protease activity
por: Isken, Olaf, et al.
Publicado: (2022)

Identification of NS2B-NS3 Protease Inhibitors for Therapeutic Application in ZIKV Infection: A Pharmacophore-Based High-Throughput Virtual Screening and MD Simulations Approaches
por: Rehman, Hafiz Muzzammel, et al.
Publicado: (2023)

Designing cyclic peptide inhibitor of dengue virus NS3-NS2B protease by using molecular docking approach
por: Tambunan, Usman Sumo Friend, et al.
Publicado: (2010)

Hydroxychloroquine Inhibits Zika Virus NS2B-NS3 Protease
por: Kumar, Ankur, et al.
Publicado: (2018)

Computer Aided Screening of Phytochemicals from Garcinia against the Dengue NS2B/NS3 Protease
por: Qamar, Tahir ul, et al.
Publicado: (2014)

C-Terminal Extended Hexapeptides as Potent Inhibitors of the NS2B-NS3 Protease of the ZIKA Virus
por: Pant, Suyash, et al.
Publicado: (2022)

A Computational Approach Applied to the Study of Potential Allosteric Inhibitors Protease NS2B/NS3 from Dengue Virus
por: da Costa, Renato A., et al.
Publicado: (2022)

Structure-Based Virtual Screening: Identification of a Novel NS2B-NS3 Protease Inhibitor with Potent Antiviral Activity against Zika and Dengue Viruses
por: Shin, Hye Jin, et al.
Publicado: (2021)

Thioguanine-based DENV-2 NS2B/NS3 protease inhibitors: Virtual screening, synthesis, biological evaluation and molecular modelling
por: Hariono, Maywan, et al.
Publicado: (2019)

Discovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease
por: Bharadwaj, Shiv, et al.
Publicado: (2019)

Computational study of nitro-benzylidene phenazine as dengue virus-2 NS2B-NS3 protease inhibitor
por: Salin, Nurul Hanim, et al.
Publicado: (2022)

Identification of Cleavage Sites Proteolytically Processed by NS2B-NS3 Protease in Polyprotein of Japanese Encephalitis Virus
por: Wahaab, Abdul, et al.
Publicado: (2021)

Exploring the inhibitory potential of Nigella sativa against dengue virus NS2B/NS3 protease and NS5 polymerase using computational approaches
por: Mukhtar, Mamuna, et al.
Publicado: (2023)

Seawater fungi-derived compound screening to identify novel small molecules against dengue virus NS5 methyltransferase and NS2B/NS3 protease
por: Hasan, Mahamudul, et al.
Publicado: (2022)

Dynamic Interactions of Post Cleaved NS2B Cofactor and NS3 Protease Identified by Integrative Structural Approaches
por: Quek, Jun-Ping, et al.
Publicado: (2022)

Variability and resistance mutations in the hepatitis C virus NS3 protease in patients not treated with protease inhibitors
por: Zeminian, Luciana Bonome, et al.
Publicado: (2013)

A conformational switch high-throughput screening assay and allosteric inhibition of the flavivirus NS2B-NS3 protease
por: Brecher, Matthew, et al.
Publicado: (2017)

In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease of Dengue Fever Virus Type 4
por: Nguyen, Thi Thanh Hanh, et al.
Publicado: (2013)

Development of a NS2B/NS3 protease inhibition assay using AlphaScreen(®) beads for screening of anti-dengue activities
por: Abduraman, Muhammad Asyraf, et al.
Publicado: (2018)

Naturally occurring mutations associated with resistance to HCV NS5B polymerase and NS3 protease inhibitors in treatment-naïve patients with chronic hepatitis C
por: Costantino, Angela, et al.
Publicado: (2015)

The New High Resolution Crystal Structure of NS2B-NS3 Protease of Zika Virus
por: Badshah, Syed Lal, et al.
Publicado: (2017)

Structure of the NS2B-NS3 protease from Zika virus after self-cleavage
por: Phoo, Wint Wint, et al.
Publicado: (2016)

Therapeutic Potential of Antiviral Peptides against the NS2B/NS3 Protease of Zika Virus
por: Hossain, Md. Shahadat, et al.
Publicado: (2023)

Structure‐Based Macrocyclization of Substrate Analogue NS2B‐NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses
por: Braun, Niklas J., et al.
Publicado: (2020)

Dataset on biochemical inhibiting activities of selected phytochemicals in Azadirachta indica L as potential NS2B–NS3 proteases inhibitors
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2023)

Evaluating Andrographolide as a Potent Inhibitor of NS3-4A Protease and Its Drug-Resistant Mutants Using In Silico Approaches
por: Chandramohan, Vivek, et al.
Publicado: (2015)

1H-Imidazole-2,5-Dicarboxamides as NS4A Peptidomimetics: Identification of a New Approach to Inhibit HCV-NS3 Protease
por: Omar, Abdelsattar M., et al.
Publicado: (2020)

Allosteric Inhibitors of the NS3 Protease from the Hepatitis C Virus
por: Abian, Olga, et al.
Publicado: (2013)

Effects of NS2B-NS3 protease and furin inhibition on West Nile and Dengue virus replication
por: Kouretova, Jenny, et al.
Publicado: (2017)

Curcumin Allosterically Inhibits the Dengue NS2B-NS3 Protease by Disrupting Its Active Conformation
por: Lim, Liangzhong, et al.
Publicado: (2020)

An Antiviral Peptide from Alopecosa nagpag Spider Targets NS2B–NS3 Protease of Flaviviruses
por: Ji, Mengyao, et al.
Publicado: (2019)

Evaluation of Melongosides as Potential Inhibitors of NS2B-NS3 Activator-Protease of Dengue Virus (Serotype 2) by Using Molecular Docking and Dynamics Simulation Approach
por: Biswas, Partha, et al.
Publicado: (2022)

NMR Analysis of the Dynamic Exchange of the NS2B Cofactor between Open and Closed Conformations of the West Nile Virus NS2B-NS3 Protease
por: Su, Xun-Cheng, et al.
Publicado: (2009)

Cannot write session to /tmp/vufind_sessions/sess_2cl2hepqdgu3qrrl72jtgoesdd