IN-SILICO STUDIES ON CHEMICAL CONSTITUENTS OF CALOTROPIS SPECIES
AbstractNowadays, the use of herbal drugs is tremendously increased due to the lesser number of side effects when compared to pure form of drugs. Herbal medicine is a complex compound with multiple synergistic mechanisms of action which modulate pathophysiological functions. Even though few herbs exhibit toxicity, they possess many therapeutic values and curative principles; one such herb is calotropis. It exists in three species that produce pharmacological effects: cardiovascular, anti-cancer, antimicrobial, anticonvulsant, and smooth muscle relaxant. In this research, 24 chemical constituents of all calotropis species were selected. The molecular properties, bioactivity scores, ADMET profile of 24 calotropis species chemical constituents were predicted using computational tools, including mol inspiration, Pre ADMET, and structures drawn using chem sketch. The results drawn from the study were compounds C8[Syriogenin] and C16[urosolic acid] exhibited good oral bioavailability, bioactivity scores, intestinal absorption, renal absorption, decreased metabolism rate by inhibiting CYP3A4 and less toxic by Ames test.
Article Information
29
3935-3941
711 KB
261
English
IJPSR
Mounika Tummalapalli *, V. V. Sowjanya Appala, Sanny Gundugolanu, Kavya Komarapu, M. Trinadha Rao and G. Nagamani
Department of Pharmaceutical Chemistry, Adarsa College of Pharmacy, G. Kothapalli, Andhra Pradesh, India.
mounikat127@gmail.com
27 December 2022
12 March 2023
29 May 2023
10.13040/IJPSR.0975-8232.14(8).3935-41
01 August 2023
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