Advanced search
Publication Cover
Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 4
Journal homepage
296
Views
7
CrossRef citations to date
0
Altmetric
Research Articles

Designed thiazolidines: an arsenal for the inhibition of nsP3 of CHIKV using molecular docking and MD simulations

Mahendra Kumar Meenaa Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, New Delhi, India;b Department of Chemistry, University of Delhi, Delhi, India;c Department of Chemistry, Shivaji College, University of Delhi, New Delhi, India
,
Durgesh Kumara Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, New Delhi, India;b Department of Chemistry, University of Delhi, Delhi, India;d Department of Chemistry, Lady Irwin College, University of Delhi, New Delhi, India
,
Abhilash Jayaraje SCFBio, Indian Institute of Technology, New Delhi, India
,
Ajay Kumarf Department of Chemistry, Indian Institute of Technology, New Delhi, India
,
Kamlesh Kumarig Department of Zoology, Deen Dayal Upadhyaya College, University of Delhi, New Delhi, IndiaCorrespondence[email protected] [email protected]
,
L. M. Katata-Seruh Department of Chemistry, Faculty of Natural Sciences, North-West University, Mmabatho, South Africa
,
Indra Bahaduri Department of Chemistry, Faculty of Natural and Agricultural Sciences, North-West University, Mmabatho, South Africa
,
Vinod Kumarj SCNS, Jawaharlal Nehru University, New Delhi, India
,
Anjali Sherawatd Department of Chemistry, Lady Irwin College, University of Delhi, New Delhi, India
&
Prashant Singha Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, New Delhi, IndiaCorrespondence[email protected] [email protected]
 show all
Pages 1607-1616 | Received 07 Jul 2020, Accepted 25 Sep 2020, Published online: 19 Oct 2020

Citations (7)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (3)

Anirudh Pratap Singh Raman, Madhur Babu Singh, Vijay Kumar Vishvakarma, Pallavi Jain, Ajay Kumar, Shallu Sachdeva, Kamlesh Kumari & Prashant Singh. (2023) An investigation for the interaction of gamma oryzanol with the Mpro of SARS-CoV-2 to combat COVID-19: DFT, molecular docking, ADME and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 41:5, pages 1919-1929.
Read now
Meenakshi Chaudhary & Deepak Sehgal. (2022) In silico identification of natural antiviral compounds as a potential inhibitor of chikungunya virus non-structural protein 3 macrodomain. Journal of Biomolecular Structure and Dynamics 40:22, pages 11560-11570.
Read now
Mahendera Kumar Meena, Durgesh Kumar, Kamlesh Kumari, Nagendra Kumar Kaushik, Rammapa Venkatesh Kumar, Indra Bahadur, Lata Vodwal & Prashant Singh. (2022) Promising inhibitors of nsp2 of CHIKV using molecular docking and temperature-dependent molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 40:13, pages 5827-5835.
Read now

Articles from other publishers (4)

Shobana Sundar, Shanmughavel Piramanayagam & Jeyakumar Natarajan. (2022) A review on structural genomics approach applied for drug discovery against three vector-borne viral diseases: Dengue, Chikungunya and Zika. Virus Genes 58:3, pages 151-171.
Crossref
Vijay Kumar Vishvakarma, Madhur Babu Singh, Pallavi Jain, Kamlesh Kumari & Prashant Singh. (2021) Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations. Amino Acids 54:2, pages 205-213.
Crossref
Anirudh Pratap Singh Raman, Kamlesh Kumari, Pallavi Jain, Vijay Kumar Vishvakarma, Ajay Kumar, Neha Kaushik, Eun Ha Choi, Nagendra Kumar Kaushik & Prashant Singh. (2022) In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19. Pharmaceutics 14:1, pages 135.
Crossref
Kamlesh Kumari, Ajay Kumar, Indra Bahadur & Prashant Singh. (2021) Investigate the interaction of testosterone/progesterone with ionic liquids on varying the anion to combat COVID‐19: Density functional theory calculations and molecular docking approach. Journal of Physical Organic Chemistry 34:12.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.