Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein
Joint Authors
Hossain, Mohammad Uzzal
Khan, Md. Arif
Rakib-Uz-Zaman, S. M.
Ali, Mohammad Tuhin
Islam, Md. Saidul
Keya, Chaman Ara
Salimullah, Md.
Source
Issue
Vol. 2016, Issue 2016 (31 Dec. 2016), pp.1-14, 14 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2016-02-28
Country of Publication
Egypt
No. of Pages
14
Main Subjects
Abstract EN
Diabetes mellitus (DM) is one of the most prevalent metabolic disorders which can affect the quality of life severely.
Injectable insulin is currently being used to treat DM which is mainly associated with patient inconvenience.
Small molecules that can act as insulin receptor (IR) agonist would be better alternatives to insulin injection.
Herein, ten bioactive small compounds derived from Gymnema sylvestre (G.
sylvestre) were chosen to determine their IR binding affinity and ADMET properties using a combined approach of molecular docking study and computational pharmacokinetic elucidation.
Designing structural analogues were also performed for the compounds associated with toxicity and less IR affinity.
Among the ten parent compounds, six were found to have significant pharmacokinetic properties with considerable binding affinity towards IR while four compounds were associated with toxicity and less IR affinity.
Among the forty structural analogues, four compounds demonstrated considerably increased binding affinity towards IR and less toxicity compared with parent compounds.
Finally, molecular interaction analysis revealed that six parent compounds and four analogues interact with the active site amino acids of IR.
So this study would be a way to identify new therapeutics and alternatives to insulin for diabetic patients.
American Psychological Association (APA)
Hossain, Mohammad Uzzal& Khan, Md. Arif& Rakib-Uz-Zaman, S. M. & Ali, Mohammad Tuhin& Islam, Md. Saidul& Keya, Chaman Ara…[et al.]. 2016. Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein. BioMed Research International،Vol. 2016, no. 2016, pp.1-14.
https://search.emarefa.net/detail/BIM-1097300
Modern Language Association (MLA)
Hossain, Mohammad Uzzal…[et al.]. Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein. BioMed Research International No. 2016 (2016), pp.1-14.
https://search.emarefa.net/detail/BIM-1097300
American Medical Association (AMA)
Hossain, Mohammad Uzzal& Khan, Md. Arif& Rakib-Uz-Zaman, S. M. & Ali, Mohammad Tuhin& Islam, Md. Saidul& Keya, Chaman Ara…[et al.]. Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein. BioMed Research International. 2016. Vol. 2016, no. 2016, pp.1-14.
https://search.emarefa.net/detail/BIM-1097300
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1097300