Phytochemical Profiling, Biological Activities and In Silico Virtual Screening of Bioactive Compounds of Trichodesma Indicum (L) R. Br. Extracts

Abstract

AbstractThe current study was designed to evaluate the biological potential of bioactive compounds in the selected fractions of Trichodesma indicum. The results showed that the chloroform and ethyl acetate fractions of ethanolic extract of the whole plant T. indicum were rich in TPCs (total phenolic content) i.e 499.80 and 744.65 mg of gallic acid equivalents per g, respectively, while TFCs (total flavonoid content) were 42.48, and 55.02 mg of catechin equivalents per g, respectively. HPLC analysis confirmed the presence of phenolics i. e., chlorogenic acid (252.35 ppm), ferulic acid (92.56 ppm), caffeic acid (28.72 ppm), cinnamic acid (28.97 ppm), syringic acid (23.75 ppm), gallic acid (7.28 ppm) and flavonoids i. e. myricetin (72.1 ppm), Quercetin (57.3 ppm) in a selected fraction of T. indicum ethanolic extract. The significant potential of antioxidants was observed through ABTS, DPPH, and H2O2 methods. The highest % inhibition of inflammation was observed in ethyl acetate fraction by performing in‐vitro and in‐vivo assays, 87.57 % and 79.18 % (P<0.05) respectively. The thrombolytic activity of the T. indicum fractions was observed in the range from 9.85 % to 27.26. GC‐MS coupled with molecular docking depicted the inhibition of COX‐1 and COX‐2 by the GC‐MS‐identified compound 9,19‐Cyclolanost‐24‐en‐3‐ol, (3. Beta.)‐ (−9.6 kJ/mol). The in‐silico anti‐proliferative analysis was conducted by using BRCA1 and BRCA2 cancerous protein against GC‐MS identified compounds among which stigmasterol (−8.0 kJ/mol) was observed for high binding affinity.