In-Silico Evaluation of Limonoid Compounds' Anticancer Activity Using CLC-Pred 2.0 Against Multiple Cancer Cell Lines
Authors: Jenifer C, Sathyananth M, Jebarubi E, Pramely R, Leon Stephan Raj T
DOI: 10.37326/ajsev8.12/2063
Page No: 27-41
Abstract
Natural compounds derived from plant sources have demonstrated promising potential for cancer treatment. This study utilized CLC-Pred (Cell Line Cytotoxicity Predictor) 2.0, an advanced computational tool, to investigate the anticancer activity of five limonoid compounds from Azadirachta indica A. Juss. Meliaceae (Nimbin, Azadirachtin, Salannin, Gedunin, and Azadirone) against various cancer cell lines. The analysis employed the probability of activity (Pa), probability of inactivity (Pi), and integrated anticancer prediction (IAP) values generated through the CLC-Pred 2.0 platform to assess their efficacy. The compounds were computationally evaluated against 19 cancer cell lines, including breast, lung, prostate, ovarian, and hematopoietic cancers. Utilizing CLC-Pred 2.0's prediction algorithms, Salannin exhibited the highest activity against OVCAR-5 (ovarian adenocarcinoma) with a Pa value of 0.769, while Azadirone demonstrated broad-spectrum activity across multiple cell lines, particularly effective against MCF7 (breast carcinoma) with a Pa value of 0.718. Notably, all compounds exhibited significant predicted activity against HL-60 (promyeloblast leukemia), with Pa values ranging from 0.584 to 0.735. The in-silico results from CLC-Pred 2.0 indicate that these limonoid compounds exhibit varying degrees of anticancer potential, with some demonstrating remarkable specificity for certain cancer types. The high IAP values (>0.8) across most cell lines suggest strong predictive confidence in their anticancer activity. This computational study provides valuable preliminary insights for future experimental validation, drug development, and targeted cancer therapeutic approaches using natural compounds.
