Work

Chemical Profiling, In Silico and In Vitro Studies to Identify Potential CDK2 and mTOR Inhibitor From Selaginella inaequalifolia (Hook. & Grev.) Spring Ethanolic Extracts

Year: 2025

Type: article

Abstract: ABSTRACT The current study is aimed to reveal the phytoprofile of Selaginella inaequalifolia (Hook. & Grev.) Spring using GC–MS and predict the drug properties, toxicity, biological properties of S. inaequalifolia ethanolic extracts ( Si EE) using in silico methods and in vitro toxicity assays, namely, MTT and BSLB assay. A total of 27 compounds are identified from Si EE with varied physicochemical properties. Various biological properties of the identified compound are predicted based on online PASS prediction. The ADME and toxicity profile analysis identified pentadecanoic acid, 13‐methyl‐, methyl ester as a strong CDK2 and mTOR inhibitor, suggesting anticancer potential. A dose‐dependent toxicity and cytotoxicity are observed. The brine shrimp lethality assay (LC 50 : 274.26 mg/mL) indicated low cytotoxicity, while MCF‐7 breast cancer cell line studies (IC 50 : 42.49 µg/mL) showed promising anticancer activity. These findings support S. inaequalifolia as a potential source of therapeutic agents, warranting further molecular and clinical investigations.

Source: Chemistry & Biodiversity

DOI: 10.1002/cbdv.202502119

Authors: Johnson Marimuthu Alias Antonysamy, Sivaraman Arumugam, Robin Charles Antony Arulraj, Anne Wincy Jacob Thomas, Henrique D. M. Coutinho

Institutions: St. Xavier's College (Autonomous), Universidade Regional do Cariri

Language: English

Topic: Phytochemical Studies and Bioactivities

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: hybrid

Estimated APC paid: $3,880