Title |
Molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs
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Authors |
Anbuselvam Mohan1,*, Katherine C. Ji2, Balasubramanian Chitra1, Anbuselvam Jeeva3 & Hai-Feng Ji2
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Affiliation |
1Department of Biotechnology, SrimadAndavan Arts and Science, Tiruchirappalli, Tamil Nadu, India; 2Department of Chemistry, Drexel University, Philadelphia, PA 19104, USA; 3Department of Microbiology, Imayam Arts and Science College, Tiruchirappalli, Tamilnadu, India; *Corresponding author
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Anbuselvam Mohan - E-mail: mohanbio33@gmail.com
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Article Type |
Research Article
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Date |
Received June 30, 2025; Revised June 30, 2025; Accepted June 30, 2025, Published June 30, 2025
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Abstract |
Malaria is one of the major global public health problems, is primarily caused by protozoan parasites of the genus Plasmodium and transmitted through the bites of infected female Anopheles mosquitoes. N-Myristoyltransferase (NMT) is an important drug target, particularly for Plasmodium vivax. Therefore, it is of interest to describe the molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs. Hence, we report four potential compounds namely ZINC37555319, ZINC41016284, ZINC41016205, and ZINC47160805 with acceptable ADME properties for further consideration. |
Keywords |
Malaria, Plasmodium vivax, N-Myristoyltransferase (NMT), virtual screening, molecular dynamics simulation
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Citation |
Mohan et al. Bioinformation 21(6): 1397-1403 (2025)
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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License |
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
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