Unveiling the Chemical Profile, Biological Activity, and Docking Studies of the Entomopathogenic Fungus Beauveria bassiana

Abstract

INTRODUCTION/OBJECTIVES: Beauveria bassiana is an entomopathogenic fungus that produces diverse bioactive secondary metabolites; however, its detailed metabolic profile and antitumor potential remain poorly characterized. The objective is to investigate the bioactive metabolites produced by B. bassiana and to evaluate their antimicrobial, antioxidant, cytotoxic, and molecular docking activities. METHODS: Sequential extraction yielded four fractions (B1-B4). Metabolites were characterized using GC-MS and LC-MS/MS. Total phenolic content was measured using the Folin-Ciocalteau procedure. Bioactivities were assessed using agar well diffusion, DPPH radical scavenging, and MTT cytotoxicity assays against HCT-116, HepG2, and MCF-7 cell lines. Molecular docking was conducted against VEGFR-2 and CDK-2 to predict potential anticancer mechanisms. RESULTS: Total phenolic content ranged from 2.28 to 11.68 mg GAE/g, with B4 showing the highest value. GC-MS analysis of B3 identified 30 compounds, predominantly fatty acids, including palmitic acid derivatives. LC-MS profiling of B4 revealed 11 metabolites, notably 3,7-dimethyl quercetin, kaempferide, and hesperetin. B3 and B4 exhibited significant cytotoxicity with IC₅₀ values of 9.72-25.49 μg/mL and high selectivity indices. B2 and B4 demonstrated notable antioxidant activity. Docking analysis showed strong binding affinities of LC9 (3,7-dimethyl quercetin), LC11 (hesperetin), and GC28 (stigmasterol) toward VEGFR-2 and CDK-2, comparable to reference inhibitors. DISCUSSION: Integrated in vitro and in silico findings suggest complementary anticancer mechanisms involving oxidative modulation and kinase inhibition. CONCLUSION: B. bassiana represents a promising source of fatty acids and flavonoid derivatives with significant anticancer potential.