Virtual screening-based identification of Potent DENV-3 RdRp protease inhibitors via in-house usnic acid derivative database

Virtual screening-based identification of Potent DENV-3 RdRp protease inhibitors via in-house usnic acid derivative database

Dengue virus (DENV) is the causative agent of dengue fever, dengue hemorrhagic disease and dengue shock syndrome (DSS), transmitted predominantly in tropical and subtropical regions by Aedes aegypti. It infects millions of people and causes thousands of deaths each year, but there is no antiviral dr...

Fuld beskrivelse

Bibliografiske detaljer
Main Authors:	Roney, Miah, Huq, AKM Moyeenul, Rullah, Kamal, Hazrulrizawati, Hamid, Syahrul, Imran, Islam, Md. Alimul, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format:	Article
Sprog:	English
Udgivet:	World Scientific Publishing Co Pte Ltd 2021
Fag:	QD Chemistry TP Chemical technology
Online adgang:	http://umpir.ump.edu.my/id/eprint/33142/1/Virtual%20screening-based%20identification.pdf

Lignende værker

In-silico Studies of Usnic Acid against DENV-3 Methyltransferase
af: Roney, Miah, et al.
Udgivet: (2023)

Pharmacophore-based virtual screening and in-silico study of natural products as potential DENV-2 RdRp inhibitors
af: Miah, Roney, et al.
Udgivet: (2023)

Phenolic compounds of Theobroma cacao L. show potential against dengue RdRp protease enzyme inhibition by In-silico docking, DFT study, MD simulation and MMGBSA calculation
af: Moyeenul Huq, A. K. M., et al.
Udgivet: (2024)

Pharmacophore-based molecular docking of usnic acid derivatives to discover anti-viral drugs against influenza A virus
af: Roney, Miah, et al.
Udgivet: (2023)

Pharmacophore-based molecular docking and in-silico study of novel usnic acid derivatives as avian influenza A (H7N9) inhibitor
af: Roney, Miah, et al.
Udgivet: (2022)

Discovery of COVID-19 protein inhibitors in phenolic acids of azadirachta indica (neem) using docking and pharmacokinetics
af: Roney, Miah, et al.
Udgivet: (2024)

Identification of pyrazole derivatives of Usnic Acid as Novel Inhibitor of SARS‑CoV‑2 main protease through virtual screening approaches
af: Roney, Miah, et al.
Udgivet: (2023)

Identification of pyrazole derivatives of usnic acid as novel inhibitor of SARS-CoV-2 main protease through virtual screening approaches
af: Roney, Miah, et al.
Udgivet: (2023)

Virtual screening of pyrazole derivatives of usnic acid as new class of anti-hyperglycemic agents against PPARγ agonists
af: Roney, Miah, et al.
Udgivet: (2023)

Molecular docking and drug-likeness study of nirmatrelvir as promising drug candidates of dengue virus NS2B-NS3 protease
af: Huq, A.K.M. Moyeenul, et al.
Udgivet: (2023)

In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IV
af: Miah, Roney, et al.
Udgivet: (2023)

Qualitative dataset on UPLC-QTOF/MS tentative identification of phytochemicals from bioactive extract of Ipomoea mauritiana Jacq.
af: Alam, Istiak, et al.
Udgivet: (2021)

In silico exploration of Isoxazole derivatives of usnic acid: novel therapeutic prospects against α-Amylase for diabetes treatment
af: Roney, Miah, et al.
Udgivet: (2024)

Curcumin, a bioactive compound of Turmeric (Curcuma longa) and its derivatives as α-amylase and α-glucosidase inhibitors
af: Roney, Miah, et al.
Udgivet: (2024)

Combat against antibiotic resistance is a challenge in Bangladesh
af: Roney, Miah, et al.
Udgivet: (2024)

Concerns regarding SARS-CoV-2 JN.1 mutations should be raised
af: Roney, Miah, et al.
Udgivet: (2024)

Record dengue deaths in Bangladesh as disease patterns change
af: Roney, Miah, et al.
Udgivet: (2024)

Selected phytochemicals of Momordica charantia L. as potential anti-DENV-2 through the docking, DFT and molecular dynamic simulation
af: Huq, A. K. M. Moyeenul, et al.
Udgivet: (2023)

In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease
af: Roney, Miah, et al.
Udgivet: (2023)

Design, synthesis, structural characterization, cytotoxicity and computational studies of Usnic acid derivative as potential anti-breast cancer agent against MCF7 and T47D cell lines
af: Roney, Miah, et al.
Udgivet: (2025)

Identification of potent new brain cancer EGFR inhibitor from usimine A and usimine B: computer-aided drug design perspective
af: Roney, Miah, et al.
Udgivet: (2024)

A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro
af: Zhang, Haiping, et al.
Udgivet: (2021)

Cancer drug resistance is a serious threat in Bangladesh
af: Roney, Miah, et al.
Udgivet: (2024)

Computational studies demonstrating dithymoquinone of Nigella sativa as a potential anti-dengue agent: Short review
af: Roney, Miah, et al.
Udgivet: (2024)

Anti-diabetic activity of phloretin against maltase-glucoamylase using docking, pharmacokinetics and pharmacophore studies
af: Roney, Miah, et al.
Udgivet: (2023)

The importance of in-silico studies in drug discovery
af: Roney, Miah, et al.
Udgivet: (2024)

Oropouche fever outbreak is emerging concern in American countries
af: Roney, Miah, et al.
Udgivet: (2024)

Evolution of SARS-CoV-2 from BA.2.86 to JN.1 variations and detection in Bangladesh
af: Roney, Miah, et al.
Udgivet: (2024)

Dengue death rate higher among women than men in Bangladesh
af: Roney, Miah, et al.
Udgivet: (2024)

A novel eukaryotic RdRP-dependent small RNA pathway represses antiviral immunity by controlling an ERK pathway component in the black-legged tick
af: Feng, Canran, et al.
Udgivet: (2023)

Oestrogenic activity of mimosine on MCF-7 breast cancer cell line through the ERα-mediated pathway
af: Huq, Akm Moyeenul, et al.
Udgivet: (2019)

Role of turmeric and cinnamon spices in digestive, metabolic, and immune systems
af: Mohd Fadhlizil Fasihi, Mohd Aluwi, et al.
Udgivet: (2021)

Usnic acid as potential inhibitors of BCL2 and P13K protein through network pharmacology-based analysis, molecular docking and molecular dynamic simulation
af: Wong, K. K. V., et al.
Udgivet: (2023)

Investigating non-nucleoside inhibitors targeting the Zika virus non-structural protein 5 (NS5) RNA-dependent RNA polymerase (RdRp) domain
af: Zhang, Denzel Xugeng
Udgivet: (2022)

Molecular docking and in silico evaluation of phytochemicals of bioactive methanolic extract of Ipomoea mauritiana Jacq. as anti-bacterial agents
af: Roney, Miah, et al.
Udgivet: (2022)

Identification of usnic acid derivatives as new antiviral agents via virtual screening on dengue, influenza A and avian influenza A
af: Miah, Roney
Udgivet: (2022)

Polypharmacological assessment of amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation
af: Miah, Roney, et al.
Udgivet: (2023)

An in-silico approach to evaluate bioactive molecules of aloe vera leaf extracts in inhibiting the glycogen synthase kinase-3β (GSK3-β) protein for faster diabetic wound healing potential
af: Roney, Miah, et al.
Udgivet: (2024)

Antioxidant and antibacterial activity of Ipomoea mauritiana Jacq.: a traditionally used medicinal plant in Bangladesh
af: Alam, Istiak, et al.
Udgivet: (2020)

Comprehending the pharmacological mechanism of marine phenolic acids in bladder cancer therapy against matrix metalloproteinase 9 protein by integrated network pharmacology and in-silico approaches
af: Roney, Miah, et al.
Udgivet: (2024)