@article {1227, title = {Anti-Bacterial Attributes of Phytochemicals from Bougainvillaea spectabilis: Computational Approach}, journal = {Pharmacognosy Research}, volume = {16}, year = {2024}, month = {April 2024}, pages = {384-390}, type = {Original Article}, chapter = {384}, abstract = {

Background: The escalating issue of antibiotic resistance has spurred research into alternative antimicrobial agents, including phytochemicals from various plant sources. Bougainvillaea spectabilis, a plant renowned for its medicinal properties, is attracting attention for its potential antibacterial attributes. Materials and Methods: This study employs a computational approach to investigate the antibacterial potential of B. spectabilis phytochemical compounds derived from OSADHI and IMPPAT databases. Using advanced computational tools, we systematically screened and analyzed the phytochemical constituents of B. spectabilis for their ability to inhibit bacterial growth. An effective drug like phytochemicals screened by SwissADME and its target was identified. The molecular structure of quercetin was subjected to virtual docking experiments with bacterial target protein, single strand DNA binding protein. The binding affinity and interaction were assessed to predict the likelihood of antibacterial activity. To predict the possibility of antibacterial activity, the binding affinity and interaction were evaluated. Results: Several phytochemicals with antibacterial properties were discovered in our study. The binding affinity of quercetin was -6.81 kcal/mol, and it performs critical roles in bacterial growth and survival. This computational analysis sheds light on the possible antibacterial effects of phytochemicals derived from B. spectabilis. The results demonstrated additional experimental validation as well as the synthesis of novel antibacterial agents obtained from natural sources. Conclusion: This research contributes to ongoing efforts to prevent antibiotic resistance and lays the path for the identification of novel therapeutic alternatives to address bacterial infections by leveraging the power of computational tools.

}, keywords = {Antibacterial activity, Bougainvillaea spectabilis, Phytochemical, Quercetin, Single-stranded DNA binding protein.}, doi = {10.5530/pres.16.2.48}, author = {Ravikumar P.M and Pratheep Thangaraj} } @article {1198, title = {Exploring Phytochemicals and Anti-bacterial Properties of Bougainvillea glabra: A Systematic Review with an in silico Perspective}, journal = {Pharmacognosy Research}, volume = {16}, year = {2023}, month = {December 2023}, pages = {34-41}, type = {Original Article}, chapter = {34}, 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.

}, keywords = {Anti-bacterial activity, Bougainvillaea glabra, N-(1-Deoxy-1-fructosyl) phenylalanine, Phytochemical, Tryptophanyl-tRNA synthetase}, doi = {10.5530/pres.16.1.5}, author = {P. M. Ravikumar and Pratheep Thangaraj} }