Exploring Phytochemicals and Anti-bacterial Properties of Bougainvillea glabra: A Systematic Review with an in silico Perspective

Abstract

Background: Anti-microbial resistance is a major global hazard to human health, which is exacerbated by high costs and low returns associated with bringing new antibiotics to market. Plants have a diverse array of bioactive secondary metabolites, representing an exciting new option for drug discovery. Materials and Methods: We used a systemic review of the phytochemical composition of Bougainvillaea glabra flower extracts and computational analysis of its antibacterial activity. SwissADME and STRING are used to identify effective medications like phytochemicals and their targets. Results: Totally 36 bioactive compounds were identified in B. glabra among the 467 investigations. We used SwissADME to test these compounds for possible drug-like properties and to find their specific target. The N-(1-Deoxy-1-fructosyl) phenylalanine was virtual docked with a bacterial target protein, tryptophanyl-tRNA synthetase. We examined binding affinity and interactions in these models to estimate their anti-bacterial potential. The in silico study found solid evidence for specific phytochemicals anti-microbial activities. Notably, quercetin had a binding affinity of -7.83 and was crucial in inhibiting the translational process of protein synthesis. Conclusion: This computational investigation gives information on the potential anti-bacterial properties of phytochemicals produced from B. glabra. Our findings not only call for additional testing but also point to the possibility of synthesising novel anti-bacterial drugs derived from nature. This study helps the ongoing battle against antibiotic resistance by clearing the path for the development of novel therapeutic alternatives to combat bacterial infections through the use of computational approaches.