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Investigation  of  α‐glucosidase  inhibitory  metabolites from  Tetracera  scandens  leaves  by  GC–MS  metabolite profiling  and  docking  studies

Ahmed, Nokhala and Siddiqui, Mohammad Jamshed Ahmad and Ahmed, Qamar Uddin and Ahamad Bustamam, Muhammad Safwan and Zakaria, Zainul Amiruddin (2020) Investigation  of  α‐glucosidase  inhibitory  metabolites from  Tetracera  scandens  leaves  by  GC–MS  metabolite profiling  and  docking  studies. Biomolecules, 10 (2). pp. 1-18. E-ISSN 2218-273X

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Abstract:  Stone  leaf  (Tetracera  scandens)  is  a  Southeast  Asian  medicinal  plant  that  has  been  traditionally used  for  the  management  of  diabetes  mellitus.  The  underlying  mechanisms  of  the  antidiabetic  activity have  not  been  fully  explored  yet.  Hence,  this  study  aimed  to  evaluate  the  α‐glucosidase  inhibitory potential  of  the  hydromethanolic  extracts  of  T.  scandens  leaves  and  to  characterize  the  metabolites responsible  for  such  activity  through  gas  chromatography–mass  spectrometry  (GC–MS)  metabolomics. Crude  hydromethanolic  extracts  of  different  strengths  were  prepared  and  in  vitro  assayed  for  αglucosidase  inhibition.  GC–MS analysis was  further  carried out and the  mass spectral data  were correlated to  the  corresponding  α‐glucosidase  inhibitory  IC50  values  via  an  orthogonal  partial  least  squares  (OPLS) model.  The  100%,  80%,  60%  and  40%  methanol  extracts  displayed  potent  α‐glucosidase  inhibitory potentials.  Moreover,  the  established  model  identified  16  metabolites  to  be  responsible  for  the  αglucosidase  inhibitory  activity  of  T.  scandens.  The  putative  α‐glucosidase  inhibitory  metabolites  showed moderate  to  high  affinities  (binding  energies  of  −5.9  to  −9.8  kcal/mol)  upon  docking  into  the  active  site  of Saccharomyces  cerevisiae  isomaltase.  To  sum  up,  an  OPLS  model  was  developed  as  a  rapid  method  to characterize  the  α‐glucosidase  inhibitory  metabolites  existing  in  the  hydromethanolic  extracts  of  T. scandens  leaves  based  on  GC–MS  metabolite  profiling.

Item Type: Article (Journal)
Additional Information: 6804/78713
Uncontrolled Keywords: Tetracera  scandens;  metabolite  profiling;  α‐glucosidase  inhibition;  orthogonal  partial  least squares;  GC–MS  metabolomics;  molecular  docking
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Pharmacy
Kulliyyah of Pharmacy > Department of Pharmaceutical Chemistry
Depositing User: Dr M Jamshed Siddiqui
Date Deposited: 17 Feb 2020 13:01
Last Modified: 18 Nov 2020 08:53
URI: http://irep.iium.edu.my/id/eprint/78713

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