**3.9 Pharmacokinetic properties**

Further filtering analysis subjected all 11 pharmacophore hits to pharmacokinetics profiling taking into consideration parameters such as gastrointestinal (GI) absorption, blood–brain barrier (BBB) permeation, the permeability of glycoprotein (Pgp), and cytochrome P450 (CYP). Physical parameters such as drug solubility may affect oral bioavailability but in most cases, the major determining factors are likely to be metabolism by CYP and absorption at the intestinal level [51]. CYP3A4 has been known to be responsible for the metabolism of about 50% of all drugs [52] and therefore inhibition of cytochrome can affect oxidation of substrates in cells. Absorption of drugs in the intestine if found high favors the efficacy of the compound as a drug. Multi-drug resistance transporters, such as P-glycoproteins, are essential for many cellular processes that require the transport of substrates across cell membranes [53]. Compounds that are P-gp substrates may face continual efflux which can affect the efficacy of drugs. The blood–brain barrier (BBB) prevents the brain uptake of most pharmaceuticals [54]. This is a disadvantage to neurological diseases but would be of merit since the disease of study is not related to the brain. Compounds that cross the blood–brain barrier may elucidate unwanted biological activities that could be dangerous to health. Therefore, the negative inference would be good for the compound. ZINC95486081 was predicted to show inhibition to three CYP isoenzymes. Karatavicinol, ZINC38658035, and Marmin excelled with an appreciable result (**Table A4**). For the purpose of narrowing down leads with potential for further computational analysis, compounds with low gastrointestinal absorption were side-lined. This included Taccalin and Betaxanthin.
