In silico identification and prioritization of potential drug targets in Wuchereria bancrofti: Profilin as a promising therapeutic candidate.

Authors

Murali Aarthy, Pradiba D, Navaneetha Pandiyan G, Rajaram Abirami, Sanjeev Kumar Singh, Bhavna Gupta

Published in

Computational biology and chemistry. Volume 124. Issue Pt 2. Pages 109185. Jun 12, 2026. Epub Jun 12, 2026.

Abstract

Wuchereria bancrofti, a major causative agent of lymphatic filariasis, poses a significant public health burden in tropical and subtropical countries. Despite the availability of antifilarial drugs used in mass drug administration programs, issues such as non-compliance, low coverage, emerging resistance, and incomplete parasite clearance underscore the need for novel therapeutic targets. In this study, we analyzed potential drug targets identified from our previous subtractive proteomic analysis of W. bancrofti. Computational analysis of these targets highlighted Profilin as a potential candidate based on its essential biological role and druggability. We carried out detailed in-silico analyses of Profilin, including homology modeling, molecular docking, SwissADME based pharmacokinetic profiling, and molecular dynamics to assess binding affinity of the protein along with the protein-ligand complex. One of the lead compounds demonstrated strong and stable interactions with Profilin, alongside favorable pharmacokinetic properties. These findings support Profilin as a viable therapeutic target in W. bancrofti and highlight the identified compound as promising candidate for further validation.

PMID:
42320195
Bibliographic data and abstract were imported from PubMed on 20 Jun 2026.

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