Author

Shankar M.

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Sep 2026

Phytochemical Screening, GC-MS Characterization, Docking Evaluation, and Antioxidant Activity of Spermacoce latifolia

Spermacoce latifolia (Rubiaceae) is a traditional medicinal plant used for inflammation and infection, yet its chemistry and the mechanistic basis of its neurological and antioxidant activities are uncharacterized. This study addresses that gap by profiling phytochemicals, identifying GC-MS constituents, evaluating...

S. M, Sivasubramanian P · Current Bioactive Compounds · 0 citations

Open access Jul 2026

Pharmacophore-based virtual screening, molecular docking, MD simulation, MM-GBSA energy calculation and DFT analysis for the in silico discovery of a SaFtsZ inhibitor

An integrated computational strategy involving pharmacophore mapping, molecular docking, molecular dynamics simulations, and density functional theory (DFT) analysis was employed to identify potential SaFtsZ inhibitors, highlighting compound 15 as a computationally predicted scaffold for the development of SaFtsZ-targe...

Sundarrajan T., Neerugatti Dora Babu, A. K. N. et al. · RSC Advances · 0 citations