In-silico Anti-tubercular studies for Selected Phytoconstituents from Diospyros paniculata and assessment of in-vitro activity for the extract.

Abstract

Background

Diospyros paniculata is a medicinal plant used in traditional medicine systems for treating various diseases. The study specifically targets two key classes of phytochemicals - naphthoquinones and triterpenes - which are naturally found in Diospyros species.
Mycobacterium tuberculosis, the causative agent of Tuberculosis (TB), remains a major global health threat, responsible for high morbidity and mortality. There is a growing need for novel therapeutic agents, particularly from natural sources. In this context, molecular docking and virtual screening were employed to investigate potential interactions of plant-derived compounds with TB-related molecular targets and pathways.

Results

The anti-tubercular activity of Diospyros paniculata bark and leaf extracts was evaluated using the Microplate Alamar Blue Assay (MABA). Bark extract showed a Minimum Inhibitory Concentration (MIC) of 50 µg/mL and leaf extract showed a more potent MIC of 25 µg/mL

Molecular docking and virtual screening further supported the potential of these extracts by indicating favorable binding affinities of phytochemicals to key anti-tubercular targets, suggesting possible mechanisms of action.

Conclusion

The study demonstrates the promising anti-tubercular activity of Diospyros paniculata, particularly the leaf extract. These findings support the continued exploration of plant-derived compounds for tuberculosis therapy. Future work should focus on the isolation of specific bioactive constituents, mechanistic studies, and optimization of these compounds for potential drug development.