Identification of the bioactive compounds in Medicago sativa (alfaalfa) and the in-silico studies of the pharmacological properties of the most prominent compounds

Abstract

The identification of bioactive compounds in the methanolic leaf extract of Medicago sativa (Alfalfa) and the in-silico studies of the pharmacological properties of the most prominent compounds were carried out using standard procedures. The quantitative phytochemical result revealed the presence of alkaloids (17.66%), flavonoids (10.23%), cardiac glycosides (12.60%), tannins (11.27%), saponins (3.34%) and steroids (5.01%). Thirteen compounds of the leaf extract were identified using GC-MS technique. The four most prominent of the identified compounds were hexanal (24.71%), 1-dodecene (24.71%), 1,2,4-trihydroxy-9,10- anthracenedione (19.53%) and tolbutamide (14.00%). Carbamic acid, methylphenyl- ethyl ester, 2-methoxy-4-vinylphenol, caryophyllene, xanthosine, 1-tetradecene, megastigma-3,7(E),9-triene, trichloroacetic acid, 1-cyclopentylethyl ester, octadecane and heptadeca-5,8-dione were present in smaller percentages. The result from the in-silico studies of the prominent compound showed that 1,2,4-trihydroxy-9,10-anthracenedione had a binding energy of -6.9 Kcal/mol for antidiabetic, -6.4 Kcal/mol for antiulcer, -8.3 Kcal/mol for antihypertensive, -8.1 Kcal/mol for antihermorrhagic, -5.7 Kcal/mol for antimalarial. Comparing the result with three standard controls, it was found that 1,2,4-trihydroxy-9,10-anthracenedione had excellent binding energies than the standard drugs of most of the docked pharmacological potentials which include diabetes mellitus ulcer, hemorrhagic and hypertension. However, the pharmacokinetics (ADMET) properties of the drug proved that the 1,2,4-trihydroxy-9,10-anthracenedione can be easily absorbed, distributed and properly metabolized in the liver and kidney and excreted. The toxicity studies showed that 1,2,4-trihydroxy-9,10- anthracenedione does not cause eye corrosion, genetic mutation, and does not also affect respiratory and reproductive organs. Though despite the few toxicities of 1,2,4-trihydroxy-9,10-anthracenedione, the drug likeness test according to Lipinski rule of five proved that 1,2,4-trihydroxy-9,10-anthracenedione can be used as a drug, hence, it can be regarded as a potential drug candidate for the treatment of diabetes mellitus, ulcer, hermorhagic and hypertension. However, animal studies should be carried out on the evaluation of the active pharmacological activities of the drug and more clinical trials should be assessed.