Molecular docking studies of deacetylbisacodyl with intestinal sucrase-maltase enzyme

Authors

  • Ramchander Merugu University College of Science, Mahatma Gandhi University, Nalgonda, 508254 Author
  • Uttam Kumar Neerudu Department of Biochemistry, Osmania University, Hyderabad 500007 Author
  • Karunakar Dasa Department of Chemistry, Tara Government Degree College, Sanga Reddy-50200 Author
  • Kalpana V. Singh P.G. Department of Chemistry and Pharmaceutical Chemistry, Government Madhav Science Post graduate College, Ujjain M.P Author

DOI:

https://doi.org/10.7439/ijasr.v2i12.3821

Abstract

Molecular docking of sucrase-isomaltase with ligand deacetylbisacodyl when subjected to docking analysis using docking server, predicted in-silico result with a free energy of -3.36 Kcal/mol which was agreed well with physiological range for protein-ligand interaction, making bisacodyl probable potent anti-isomaltase molecule. According to docking server Inhibition constant is 5.98Mm which predicts that the ligand is going to inhibits enzyme and result in a clinically relevant drug interaction with a substrate for the enzyme. Hydrogen bond with bond length 3.45A^

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Published

01-01-2017

Issue

Vol. 2 No. 12 (2016): Dec

Section

Research Articles

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How to Cite

1.
Merugu R, Neerudu UK, Dasa K, Singh KV. Molecular docking studies of deacetylbisacodyl with intestinal sucrase-maltase enzyme. Int J of Adv in Sci Res [Internet]. 2017 Jan. 1 [cited 2025 Mar. 14];2(12):191-3. Available from: https://ssjournals.co.in/index.php/ijasr/article/view/3821
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