Title

Molecular docking analysis of N-myristoyl-transferase with small molecules from the ZINC database for screening potential anti-malarial drugs

Authors

Anbuselvam Mohan^1,*, Katherine C. Ji², Balasubramanian Chitra¹, Anbuselvam Jeeva³ & Hai-Feng Ji²

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

Email

Anbuselvam Mohan - E-mail: mohanbio33@gmail.com
Katherine C. Ji - E-mail: katherineji@gmail.com
Balasubramanian Chitra - E-mail: vijaychithra2006@gmail.com
Anbuselvam Jeeva - E- mail: drjeevaanbu87@gmail.com
Hai-Feng Ji - E- mail: hj56@drexel.edu

Article Type

Research Article

Date

Received June 1, 2025; Revised June 30, 2025; Accepted June 30, 2025, Published June 30, 2025

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

Citation

Mohan et al. Bioinformation 21(6): 1397-1403 (2025)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

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.