IN-SILICO PHARMACOKINETIC PROPERTIES PREDICTION OF COUMARINS PRESENT IN AEGLE MARMELOS L.
AbstractAegle marmelos L. (Bael Fruit) is rich in bioactive compounds such as coumarins, alkaloids, terpenoids, tannins, flavonoids, and essential oils. This article focused on the pharmacokinetic profiling of coumarins present using an in silico ADME tool called SwissADME which contributes to a better understanding of enhanced drug monitoring and individualization of drug therapy. Log S (ESOL), Log S (Ali), and Log S (SILICOS-IT) values of umbelliferon, scopoletin, scoparone, xanthotoxol, and marmesin show that they are soluble in water which shows they have good absorption and excretion properties. Lipophilicity data shows that all coumarins can penetrate through the blood-brain barrier (BBB) except marmin, while marmesin and marmin have good oral bioavailability. These coumarins can inhibit the CYP1A2, CYP2C19, and CYP2C9 except CYP2D6, and CYP3A4 isoenzymes. This data helps to select leads for further drug discovery and development.
Article Information
20
800-807
630 KB
309
English
IJPSR
S. A. Agrawal *, S. R. Dhamne and P. S. Shinde
Bharati Vidyapeeth's College of Pharmacy, Sector-8, C.B.D., Belapur, Navi Mumbai, Maharashtra, India.
sneha.agrawal@bvcop.in
23 July 2023
19 November 2023
30 December 2023
10.13040/IJPSR.0975-8232.15(3).800-07
01 March 2024
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