@article {1385, title = {Exploring the Therapeutic Potential of Plectranthus amboinicus: LC-MS Profiling and Molecular Docking Insights}, journal = {Pharmacognosy Research}, volume = {17}, year = {2025}, month = {April 2025}, pages = {552-561}, type = {Original Article}, chapter = {552}, abstract = {

Introduction: Plectranthus amboinicus is noted for its diverse phytochemical profile, which includes various semi-polar compounds and significant secondary metabolites. These compounds may offer therapeutic benefits for diabetes management. Objectives: This study investigates the anti-diabetic potential of phytoconstituents from Plectranthus amboinicus by utilizing both Liquid Chromatography-Mass Spectrometry (LC-MS) and molecular docking techniques. Materials and Methods: The study employed LC-MS to identify and analyze the phytoconstituents in Plectranthus amboinicus, providing detailed separation and detection of its bioactive compounds. Molecular docking simulations were conducted to evaluate how these phytoconstituents interact with diabetes-related target proteins, specifically alpha-amylase and alpha-glucosidase. The docking process involved 2 main steps: pose prediction to determine the ligand{\textquoteright}s conformation and positioning and scoring to assess binding affinity. Results: LC-MS analysis identified several key bioactive compounds in Plectranthus amboinicus. Molecular docking studies showed that these compounds interact specifically with alpha-amylase and alpha-glucosidase, indicating potential effectiveness in inhibiting these enzymes. Conclusion: The integration of LC-MS and molecular docking provides a robust methodology for discovering and characterizing potential anti-diabetic agents in Plectranthus amboinicus. The present investigation involves the LC-MS analysis and in silico study that aims to investigate the interaction between alpha-amylase, alpha-glucosidase, and the compounds (ligands) derived from Coleus amboinicus. This study underscores the therapeutic potential of its phytoconstituents and highlights the importance of combining analytical and computational approaches in the development of new diabetes treatments.

}, keywords = {Alpha-amylase, Alpha-glucosidase, Diabetes, Drug Discovery, LC-MS, Molecular docking, Phytoconstituents, Plectranthus amboinicus}, doi = {10.5530/pres.20251961}, author = {Shaeena MH and Bharathi DR} } @article {526, title = {Bioactive compounds from Carissa opaca roots and xanthine oxidase and alpha-amylase inhibitory activities of their methanolic extract and its fractions in different solvents}, journal = {Pharmacognosy Research}, volume = {7}, year = {2015}, month = {October 2015}, pages = {295-301}, type = {Original Article}, chapter = {295}, abstract = {

Background: Carissa opaca is known for its many ethnomedicinal uses. There was a need to study its bioactivities and identify its phytochemicals. Objectives: The objective was to isolate and identify phytochemicals from roots of C. opaca and to evaluate xanthine oxidase (XO) and alpha-amylase inhibitory activities of their methanolic extract and its fractions. Materials and Methods: Methanolic extract of finely divided powder of roots of C. opaca was obtained by cold maceration, followed by its fractionation to obtain hexane, chloroform, ethyl acetate, n-butanolic, and aqueous fractions. Phytochemicals screening was done by standard protocols. XO and alpha-amylase inhibitory activities of the methanolic extract and its fractions were studied. The most active ethyl acetate fraction was subjected to the column and thin layer chromatography to isolate its compounds, which were identified by gas chromatography-mass spectrometry and high-performance liquid chromatography comparison. Results: Methanolic extract displayed significant activity against both the enzymes with IC50 of 156.0 μg/mL and 5.6 mg/mL for XO and alpha-amylase, respectively. Ethyl acetate fraction showed highest activity against both the enzymes with IC50 of 129 μg/mL and 4.9 mg/mL for XO and alpha-amylase, respectively. Chloroform fraction had IC50 of 154.2 μg/mL and 5.5 mg/mL for XO and alpha-amylase, respectively. Aqueous fraction exhibited significant efficacy against alpha-amylase (IC50 5.0 mg/mL). Hexane fraction showed good activity against alpha-amylase in a dose-dependent manner but exhibited opposite trend against XO. The compounds isolated from ethyl acetate fraction included limonene, vanillin, lupeol, rutin, quercetin, β-sitosterol, Vitamin E, 2-hydroxyacetophenone, naphthalenone, 2,3,3-trimethyl- 2-(3-methylbuta-1,3-dienyl)-6-methylenecyclohexanone, and 2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester. Conclusion: Moderately polar phytochemicals of C. opaca roots possess exploitable inhibitory activity against both the enzymes.

}, keywords = {Alpha-amylase, Carissa opaca roots, Inhibitory activity, Phytochemicals, Xanthine oxidase.}, doi = {10.4103/0974-8490.158440}, author = {Ramsha Saeed and Dildar Ahmed} }