Phytochemical Profiling and Pharmacological Evaluation of Leaf Extracts of Ruellia tuberosa L.: An In Vitro and In Silico Approach

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dc.contributor.authorSharma, Akanksha
dc.contributor.authorKumar, Adarsh
dc.contributor.authorSingh, Ankit Kumar
dc.contributor.authorSingh, Harshwardhan
dc.contributor.authorKumar, K. Jayaram
dc.contributor.authorKumar, Pradeep
dc.date.accessioned2024-01-21T10:38:36Z
dc.date.accessioned2024-08-13T12:05:32Z
dc.date.available2024-01-21T10:38:36Z
dc.date.available2024-08-13T12:05:32Z
dc.date.issued2023-08-04T00:00:00
dc.description.abstractThe present study was designed to appraise the photoprotective, antioxidant, and antibacterial bioactivities of Ruellia tuberosa leaves extracts (RtPE, RtChl, RtEA, RtAc, RtMe, and RtHMe). The results showed that, RtHMe extracts of R. tuberosa was rich in total phenolic content, i. e., 1.60 mgGAE/g dry extract, while highest total flavonoid content was found in RtAc extract, i. e., 0.40 mgQE/g. RtMe showed effective antioxidant activity (%RSA: 58.16) at the concentration of 120 ?L. RtMe, RtEA and RtHMe exhibited effective in vitro antibacterial activity against Gram-negative bacteria (E. coli). In silico docking studies revealed that paucifloside (?11.743 kcal/mol), indole-3-carboxaldehyde (?7.519 kcal/mol), nuomioside (?7.275 kcal/mol), isocassifolioside (?6.992 kcal/mol) showed best docking score against PDB ID 2EX8 [penicillin binding protein 4 (dacB) from Escherichia coli, complexed with penicillin-G], PDB ID 6CQA (E. coli dihydrofolate reductase protein complexed with inhibitor AMPQD), PDB ID 2Y2I [Penicillin-binding protein 1B in complex with an alkyl boronate (ZA3)] and PDB ID 2OLV (from S. aureus), respectively. Docked phytochemicals also showed good drug likeness properties. � 2023 Wiley-VHCA AG, Zurich, Switzerland.en_US
dc.identifier.doi10.1002/cbdv.202300495
dc.identifier.issn16121872
dc.identifier.urihttp://10.2.3.109/handle/32116/3613
dc.identifier.urlhttps://onlinelibrary.wiley.com/doi/10.1002/cbdv.202300495
dc.language.isoen_USen_US
dc.publisherJohn Wiley and Sons Incen_US
dc.subjectantibacterial activityen_US
dc.subjectantioxidant activityen_US
dc.subjectmolecular dockingen_US
dc.subjectphotoprotective activityen_US
dc.subjectR. tuberosaen_US
dc.titlePhytochemical Profiling and Pharmacological Evaluation of Leaf Extracts of Ruellia tuberosa L.: An In Vitro and In Silico Approachen_US
dc.title.journalChemistry and Biodiversityen_US
dc.typeArticleen_US
dc.type.accesstypeOpen Accessen_US

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