A Mechanistic Study Combines in Vitro and in Silico Methods to Investigate the Antibacterial and Fungal Properties of Centella Asiatica

Abstract

Introduction: Ayurveda is an Indian traditional medicine based mainly on herbs. One such traditional plant is Centella asiatica (C. asiatica), which is used extensively in India and throughout Asia to treat a wide range of diseases. The plant has a broad range of therapeutic properties, such as neuroprotective, wound healing, anti-inflammatory, antibacterial, and anticancer actions.

Objectives: The main aim of the study is to understand the mechanism and action of C. asiatica biologically active compounds against bacteria and fungi.

Methods: Further antimicrobial properties were confirmed by glucose assays and bacterial membrane lysis. Moreover, we have tested the identified phytocompounds of C. asiatica (L) extract against bacterial and fungal targets using molecular docking studies.

Results: Results showed that the antimicrobial properties of the extract exhibited a substantial minimum inhibitory concentration (MIC) of about 90–100 μg/mL against Staphylococcus and Bacillus sp. Similarly, plant extract against Aspergillus niger, Fusarium sp., and Penicillium sp. showed a MIC of about 90–100 μg/mL. Further glucose uptake analysis in the presence of plant extract showed reduced glucose uptake. This might be due to increased bacterial cell death or inhibition of glucose uptake and utilization. But our bacterial cell membrane lysis test reveals increased cell death, which is confirmed by the tryphan blue test. This might be due to increased cell membrane pores caused by phytocompounds present in plant extract.

Conclusions: Seven active bioactive compounds were selected for molecular docking based on LC-MS analysis, and the results showed ligands 2, 4, and 5 have shown strong binding affinity against target proteins such as DNA gyrase B and Aspergillus niger EstA. Hence, we conclude that bioactive compounds from C. asiatica have a synergistic effect on antimicrobial and antimicrobial activity. Our study provides a novel therapeutic strategy to treat bacterial and fungal infections.