Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology-Reference-Cited by-同舟云学术

Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology

Published:2023-02-14 Issue:23 Volume:41 Page:13923-13936
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Huq A.K.M. Moyeenul¹²^ORCID,Roney Miah¹³^ORCID,Imran Syahrul⁴⁵,Khan Shafi Ullah⁶^ORCID,Uddin Md. Nazim⁷,Htar Thet Thet⁸,Baig Atif Amin⁹,Bhuiyan Mohiuddin Ahmed²,Zakaria Zainul Amiruddin¹⁰,Aluwi Mohd Fadhlizil Fasihi Mohd¹³,Tajuddin Saiful Nizam¹³^ORCID

Affiliation:

1. Bio Aromatic Research Centre, Universiti Malaysia Pahang, Kuantan, Pahang, Malaysia

2. School of Medicine, Department of Pharmacy, University of Asia Pacific, Dhaka, Bangladesh

3. Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, Kuantan, Pahang, Malaysia

4. Atta-ur-Rahman Institute for Natural Product Discovery (AuRIns), Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, Puncak Alam, Selangor, Malaysia

5. Faculty of Applied Science, Universiti Teknologi MARA (UiTM), Shah Alam, Selangor, Malaysia

6. Product & Process Innovation Department, Qarshi Brands (Pvt) Ltd, Haripur, KPK, Pakistan

7. Institute of Food Science and Technology, Bangladesh Council of Scientific and Industrial Research, Dhaka, Bangladesh

8. School of Pharmacy, Monash University Malaysia, Subang Jaya, Selangor, Malaysia

9. Faculty of Medicine, Universiti Sultan Zainal Abidin, Kuala Terengganu, Terengannu, Malaysia

10. Department of Biomedical Sciences, Faculty of Medicine and Health Sciences, Universiti Malaysia Sabah, Jalan UMS, Kota Kinabalu, Sabah, Malaysia

Funder

Lembaga Koko Malaysia

Fundamental Research Grant Scheme

Ministry of Higher Education, Malaysia

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2176926

Reference61 articles.

1. Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors

2. Synthesis of unsymmetrical monocarbonyl curcumin analogues with potent inhibition on prostaglandin E2 production in LPS-induced murine and human macrophages cell lines

3. An evaluation of the antioxidant and antiviral action of extracts of rosemary and provençal herbs

4. Dysregulation in Akt/mTOR/HIF-1 signaling identified by proteo-transcriptomics of SARS-CoV-2 infected cells

5. An antimicrobial abietane from the root of plectranthus hereroensis

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