Phytochemical and safety evaluations of Diospyros mespiliformis, and in silico evaluations of drug-likeness, pharmacokinetics and acute toxicity of its bioactive compound (Diospyrin)

Diospyros mespiliformis is among the popular multipurpose tropical fruit trees, commonly used as herbal medicines. However, due to the lack of adequate scientific data on the safety of this plant, the present study was conducted to determine the phytochemical compositions and acute toxicity profile of the crude methanol extract of D. mespiliformis. In addition, diospyrin, a bioactive compound from the plant was evaluated for in silico drug-likeness, pharmacokinetics (PKs) and acute toxicity. The phytochemical contents of the plant were quantified using standardized protocols while the 50% lethal dose (LD50) was evaluated using Lorke’s methods. Results revealed that flavonoids (265.46±0.32 mg/g) are the most abundant phytochemical in methanol leaf extract of D. mespiliformis, followed by alkaloids (224.56±0.19 mg/g) and phenols (191.82±0.04 mg/g) while saponins (7.90±0.32 mg/g) was the least abundant phytochemical. The plant extract has LD50 of > 5000 mg/kg in rats. No death was recorded throughout the study period. Similarly, no behavioural changes were observed in animals dosed with the crude extract at 10 -2900 mg/kg BW. Animals administered 5000 mg/kg BW were hyperactive, restless, and displayed profused breathing which lasted only for 30 minutes after administrations. Diospyrin a bioactive compound from D. mespiliformis demonstrated good druglike candidates and exhibited a high safety profile as revealed by in silico study. In conclusion, the crude methanol extract of D. mespiliformis and its bioactive compound is well-tolerated and non-toxic to rats, and thus could be considered a safe medicinal plant for acute oral remedies.