BIOAVAILABILITY AND PHARMACOKINETICS, DRUG LIKELINESS PREDICTIONS OF BIOACTIVE COMPOUNDS OF MUSA ACUMINATA USING SWISS ADME AND PHYRE 2.0 SOFTWARE
Main Article Content
Keywords
ADMET LAB 3.0, Musa acuminata, bioactive compounds, medicinal plant, SWISS ADME, drug likeliness.
Abstract
This study presents an in silico evaluation of bioactive compounds from Musa acuminata, focusing on their pharmacokinetic behavior, bioavailability, and drug-likeness using SwissADME and Phyre2.0 tools. Selected phytochemicals were analyzed for absorption, distribution, metabolism, and excretion (ADME) properties, alongside key medicinal chemistry filters such as Lipinski’s Rule of Five. Swiss ADME predictions revealed promising oral bioavailability, favourable lipophilicity, and minimal cytochrome P450 inhibition for several compounds. Phyre2.0 was employed to model target protein structures, enabling preliminary insights into ligand-protein compatibility. Compounds like ferulic acid, catechin, and β-sitosterol demonstrated optimal drug-likeness profiles, suggesting potential for further pharmacological exploration. This integrative computational approach streamlines early-stage screening and supports the identification of natural leads for future drug development.
MATERIALS AND METHODS: The current study will be the first to use the free online tool SWISS ADME to report the ADME characteristics of Musa acuminata. The ADME properties of five bioactive compounds from licorice were screened and the results were evaluated.
RESULT: Six bioactive compounds were identified to have good gastrointestinal absorption and can penetrate the brain . These compounds include Dopamine showing better lipophilicity, hydrogen bond donor and hydrogen bond acceptor.
CONCLUSION: This method is for determining the ADME characteristics of the bioactive compounds in Licorice. Based on the information, it was predicted that licorice would be effective in managing the disease. To validate these findings, it is advisable to conduct further controlled experimental research exploring the bioactive compounds’ pharmacological effects.
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Dr. N. V.V.Jagan mohan reddy
Professor, Department of Pharmaceutical Analysis, VJ'S College of Pharmacy, Rajahmundry, Andhra pradesh -India
M. Laxmi Priya
Associate Professor, Department of Pharmaceutics, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh- India.
Dr D.Narendra
Principal &Professor, Department of Pharmaceutical analysis, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh – India.
K. Teja rani
Student, Department of Pharmacy, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh – India.
K. Suma Sarvani
Student, Department of Pharmacy, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh – India.
K. Lavanya
Student, Department of Pharmacy, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh – India.
K. L.S.V.N. Sai
Student, Department of Pharmacy, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh – India
K.M.D.N.S.Sri
Student, Department of Pharmacy, VJ’s college of Pharmacy, Rajahmundry, Andhra Pradesh – India