@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 {1115, title = {Simultaneous Quantitative Determination of Six Triterpenoid Saponins in Ardisia japonica Collected from Different Regions of China through LC-ESI-MS}, journal = {Pharmacognosy Research}, volume = {15}, year = {2023}, month = {December 2022}, pages = {138-144}, type = {Original Article}, chapter = {138}, abstract = {

Background: The whole plants of Ardisia japonica (Myrsinaceae) are used in traditional Chinese medicine for the treatment of phlegm, cough, jaundice, edema, and bruise, and triterpenoid saponins are the main bioactive components. However, triterpenoid saponins from this plant have not yet been simultaneously quantitatively determined and reported. Objectives: The present study aimed to establish a fast, simple, and reliable LC-ESI-MS analysis method for simultaneous quantization of the major triterpenoid saponins in A. japonica for the first time. Materials and Methods: Six major triterpenoid saponins from the plant species of Ardisia were selected as the reference compounds. Five batches of A. japonica were gathered from five distinct regions of P. R. China. Quantitative analysis was developed and validated by LC-ESI-MS in SIM mode. The separation conditions were optimized on a RP C18 Column with ACN and 0.1\% FA (v/v) at a flow rate of 0.2 ml/min and column temperature of 35{\textdegree}C. Results: The validation investigation found that the analysis method was accurate, recoverable, and sensitive for quantification of the six triterpenoid saponins. All of the calibration curves revealed acceptable linear regression (R2\>0.9975). The contents of six triterpenoid saponins in A. japonica from five regions varied considerably. Conclusion: The present study established a highly efficient analytical technique to quantify the triterpenoid saponins in A. japonica, and it could be further applied in the quality control of A. japonica.

}, keywords = {Ardisia japonica, LC-MS, Quantitative analysis, Triterpenoid saponin}, doi = {10.5530/097484900260}, author = {Ling Ma and Mi Zhang and Kouharu Otsuki and Yan Lei and Takashi Kikuchi and Yinghua Wang and Wei Li} }