Prostate cancer is of global concern in men. The already existing therapies of prostate cancer are expensive and some patients cannot afford the treatment, hence the need for natural therapy using medicinal plants.. The objective of this paper was to evaluate In Silico assessment of Tangeretin as Potential Target for Breast Cancer Gene 1 (BRCA 1) implicated in prostate cancer disease using PubChem, PDB database, SWISSADME and SWISSDOCK. The result of this experiment showed that its chemical formula is C20H20O7, molecular weight is 372.37 g/mol, number of heavy atoms is 27 and number of aromatic heavy atoms is 16. The fraction of Csp3 is 0.25. The number of rotatable bonds is 6, number of hydrogen bond acceptors is 7 and number of hydrogen bond donors is 0. Molar refractivity is 100.38 and its TPSA is 76.36 Ų. It obeys the Lipinski rule and its other filters Ghose, Veber, Egan and Muegge. Its bioavailability score is 0.55. It has no alert for PAINS and Brenk. However, there is a fault with the leadlikeness as its weight is above 350, it has a molecular weight of 372.37 g/mol. Its synthetic accessibility is 3.74. It also has a high gastrointestinal absorption and can cross over the blood brain barrier. It is a non-substrate for P-gp and a non-inhibitor of CYP1A2, CYP2C19, and CYP2D6 and an inhibitor for CYP2C9 and CYP3A4. It bonded with BRCA1 with calculated affinity of -5.552kcal/mol. The objective of this paper is to evaluate In Silico assessment of Tangeretin as Potential Target for Breast Cancer Gene 1 Implicated in Prostate Cancer Disease.
Oyewole et al. (Tue,) studied this question.