Olasunkanmi, Adedoyin Adetutu & Phillip Olaoluwa Happiness

The global incidence of cancer is rising quickly. Since the previous several decades, a wide range of chemotherapeutic agents have been developed to treat cancer, however their high cost as well as accruing side effects remains a negative factor. For the therapy of this condition, safe and affordable compounds produced from natural sources are required. Natural chemicals produced from plants have long been used to treat cancer, and they have played a significant role in the development of anti-cancer medications. Numerous types of cancer have been demonstrated to have high fibroblast growth factor receptor (FGFR1) levels. In this study, in silico methodology was used in order to assess the inhibitory effects of the compounds from Curcuma longa and Zingiber officinale on the cancer-related fibroblast growth factor receptor. Pyrx was used for molecular docking, while Swissadme and ADMETlab were used for admet screening. After performing molecular docking, it was discovered that the binding affinities of luteolin, apigenin, demethoxycurcumin, bisdemethoxycurcumin, and isorhamnetin were all higher than that of the reference drug, AZD4547 (-7.8kcal/mol). These values were -9.8kcal/mol, -9.8kcal/mol, -9.6kcal/mol, and 9.4kcal/mol, respectively. The five discovered compounds demonstrated moderate toxicity, drugability, and GI absorptions, established stable complexes with the proteins, and may require structural changes for lead optimization. The study's findings demonstrated that luteolin; apigenin, demethoxycurcumin, and bisdemethoxycurcumin have a greater affinity for the target protein FGFR1 and better ADMET properties than the conventional medication (AZD4547), which is generally recognized to inhibit FGFR1 expression. Keywords: Therapeutic targets, Molecular docking, cancer, apoptosis, ADMET 0150