Computer-aided identification of dengue virus NS2B/NS3 protease inhibitors: an integrated molecular modelling approach for screening of phytochemicals

IU Mufti, M Sufyan, I Shahid, AR Alzahrani… - Journal of …, 2023 - Taylor & Francis
Globally, dengue (DENV) fever has appeared as the most widespread vector-borne disease,
affecting more than 100 million individuals annually. No approved anti-DENV therapy or …

Structure activity relationship (SAR) and quantitative structure activity relationship (QSAR) studies showed plant flavonoids as potential inhibitors of dengue NS2B …

MW Sarwar, A Riaz, SMR Dilshad, A Al-Qahtani… - BMC structural …, 2018 - Springer
Background Due to dengue virus disease, half of the world population is at severe health
risk. Viral encoded NS2B-NS3 protease complex causes cleavage in the nonstructural …

Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: Structure-based virtual screening, molecular docking and molecular dynamics …

P Purohit, S Sahoo, M Panda, PS Sahoo… - Journal of Molecular …, 2022 - Springer
Dengue fever has been a global health concern. Mitigation is a challenging problem due to
non-availability of workable treatments. The most difficult objective is to design a perfect anti …

Antiviral phytochemicals as potent inhibitors against NS3 protease of dengue virus

MM Rahman, S Biswas, KJ Islam, AS Paul… - Computers in Biology …, 2021 - Elsevier
Dengue, a mosquito-borne disease, has appeared as a major infectious disease globally.
The virus requires its proteins to replicate and reproduce in the host cell. The NS3 protease …

Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand-and structure-based approach

J Chen, H Jiang, F Li, B Hu, Y Wang, MX Wang… - … biology and chemistry, 2018 - Elsevier
Abstract The NS2B-NS3 protease is essential for the replication process of Dengue Virus,
which make it an attractive target for anti-virus drugs. Since a considerable number of NS2B …

In silico elucidation of potent inhibitors from natural products for nonstructural proteins of dengue virus

BR Bhattarai, B Adhikari, S Basnet… - Journal of …, 2022 - Wiley Online Library
Medicinal plants have been used from the beginning of human civilization against various
health complications. Dengue virus (DENV) has emerged as one of the most widespread …

Identification of novel and potential inhibitors against the dengue virus NS2B/NS3 protease using virtual screening and biomolecular simulations

A Nasir, A Samad, A Ajmal, P Li, M Islam… - International Journal of …, 2024 - Elsevier
Approximately 3.9 billion individuals are vulnerable to dengue infection, a prevalent cause
of tropical diseases worldwide. Currently, no drugs are available for preventing or treating …

A comprehensive protein interaction map and druggability investigation prioritized dengue virus NS1 protein as promising therapeutic candidate

QA Farooq, S Aiman, Y Ali, Z Shaukat, Y Ali, A Khan… - Plos one, 2023 - journals.plos.org
Dengue Virus (DENV) is a serious threat to human life worldwide and is one of the most
dangerous vector-borne diseases, causing thousands of deaths annually. We constructed a …

Exploration of Phytocompounds as Potential Anti-Dengue Agents Against Denv Ns2b-Ns3 Protease: Structure-Based Virtual Screening and Md Simulation Studies.

P Purohit, JJ Dash, B Meher - Proceedings of International …, 2020 - papers.ssrn.com
Dengue fever has been a global health concern affecting 3 billion individuals worldwide and
50-100 million fresh infections per year, which is an acute viral infection caused by four …

[HTML][HTML] Phytochemical compound screening to identify novel small molecules against dengue virus: a docking and dynamics study

MSS Shimu, S Mahmud, TE Tallei, SA Sami, AA Adam… - Molecules, 2022 - mdpi.com
The spread of the Dengue virus over the world, as well as multiple outbreaks of different
serotypes, has resulted in a large number of deaths and a medical emergency, as no viable …