Computational evaluation of quinones of <i>Nigella sativa</i> L. as potential inhibitor of dengue virus NS5 methyltransferase-Reference-Cited by-同舟云学术

Computational evaluation of quinones of Nigella sativa L. as potential inhibitor of dengue virus NS5 methyltransferase

Published:2023-08-26 Issue: Volume: Page:1-11
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Roney Miah¹²^ORCID,Dubey Amit³⁴,Nasir Muhammad Hassan⁵,Huq Akm Moyeenul²⁶,Tufail Aisha³,Tajuddin Saiful Nizam¹²,Zamri Normaiza Binti¹,Mohd Aluwi Mohd Fadhlizil Fasihi¹²

Affiliation:

1. Faculty of Industrial SCiences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia

2. Centre for Bio-Aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia

3. Computational Chemistry and Drug Discovery Division, Quanta Calculus, Greater Noida, India

4. Department of Pharmacology, Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Sciences, Chennai, Tamil Nadu, India

5. Faculty of Medicine, University Sultan Zainal Abidin (UniSZA), Kuala Terengganu, Terengganu Darul Iman, Malaysia

6. Department of Pharmacy, School of Medicine, University of Asia Pacific 74/A, Dhaka, Bangladesh

Funder

Ministry of Higher Education

Fundamental Research Grant Scheme

FRGS

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2248262

Reference53 articles.

1. Design, Synthesis and DFT/DNP Modeling Study of New 2-Amino-5-arylazothiazole Derivatives as Potential Antibacterial Agents

2. In-silico approaches towards the profiling of some anti-dengue virus as potent inhibitors against dengue NS-5 receptor

3. Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein

4. Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment

5. Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach