title: In silico analysis of aqueous root extract of Rotula aquatica Lour for docking analysis of the compound 3-O-acetyl-11-keto-β-boswellic acid contents.
abstract: Molecular docking is a bioinformatics tool used to study and analyse ligand receptor interactions. This helps in identifying the receptors (molecular targets) for different ligands. Using these technologies, compound isolation and drug discovery from herbals is achieved. Herbs are widely used in treatment of various ailments from time immemorial. Phytochemists and drug developers are now interestingly working in developing new molecules that can act effectively than conventional drugs. As they are developing it mostly from herbs they are found to be effective and safer drugs and quantity to be used become minimum. Rotula aquatica Lour is a plant distributed widely in India and used for urinary disorders. The plant root was extracted and studied for its active compounds that possess antiurolithiatic activity. After performing various preliminary phytochemical studies and applying chromatographic methods, molecular docking was carried out with isolated bioactive compound and Tamm-Horsfall protein (THP). By docking analysis the bioactive compound 3-O-acetyl-11-keto-β-boswellic acid interacted with THP and it may inhibit calcium oxalate crystallization.
authors.affiliation: Department of Botany, Avinashilingam University for Women, Coimbatore, Tamil Nadu 6410043 India.
authors.forename: Bhavaniamma
authors.initials: B
authors.lastname: Vijayakumari
authors.affiliation: Department of Botany, Avinashilingam University for Women, Coimbatore, Tamil Nadu 6410043 India.
authors.forename: Venkatachalam
authors.initials: V
authors.lastname: Sasikala
authors.affiliation: Department of Botany, Avinashilingam University for Women, Coimbatore, Tamil Nadu 6410043 India.
authors.forename: Singanallur Ramu
authors.initials: SR
authors.lastname: Radha
authors.affiliation: School of Natural Resources Management and Environmental Sciences, College of Agriculture and Environmental Sciences, Haramaya University, P.O. Box #337, Dire Dawa, Ethiopia.
authors.forename: Hiranmai Yadav
authors.initials: HY
authors.lastname: Rameshwar
keywords: Antiurolithiatic activity; Docking analysis; Rotula aquatica; Tamm–Horsfall protein