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BioMed Research International
Volume 2016 (2016), Article ID 3187647, 14 pages
http://dx.doi.org/10.1155/2016/3187647
Research Article

Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein

1Department of Biotechnology and Genetic Engineering, Life Science Faculty, Mawlana Bhashani Science and Technology University, Santosh, Tangail 1902, Bangladesh
2Department of Genetic Engineering and Biotechnology, Life Science Faculty, Shahjalal University of Science and Technology, Kumargaon, Sylhet 3114, Bangladesh
3Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka 1000, Bangladesh
4National Institute of Biotechnology, Ganakbari, Ashulia, Savar, Dhaka 1349, Bangladesh
5Department of Biology and Chemistry, North South University, Bashundhara, Dhaka 1229, Bangladesh
6Molecular Biotechnology Division, National Institute of Biotechnology, Ganakbari, Ashulia, Savar, Dhaka 1349, Bangladesh

Received 25 November 2015; Accepted 11 January 2016

Academic Editor: Maxim P. Evstigneev

Copyright © 2016 Mohammad Uzzal Hossain et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

Only E chain ( Insulin binding domain, ectodomain) among the polypeptide chains (A,B,C,D & E) of 3LOH insulin receptor of Homo sapiens was saved as PDB file format for insulin mimicking analysis (Supplementary figure S1). The ligands from PDB files of 3LOH as well as polypeptide chains were removed by using Discovery Studio 4.0 client (http://accelrys.com/products/discovery-studio/). Forty novel compounds were designed by generating analogues from the four tested drugs (Supplementary figure, S2) to improve the antidiabetic activity. ACD/Chemsketch [1], Discovery studio 4.0 client (http://accelrys.com/products/discovery-studio/) and open Babel [2] were employed to generate the analogues. The preeminent active site is found within 5311.9 area and a volume of 40219 amino acids into the E chain of 3LOH receptor (Supplementary figure, S3). These analyses were determined with the CASTp server (http://sts.bioengr.uic.edu/castp/). The binding site within the E chain of 3LOH was detected by Discovery Studio 4.0 client (http://accelrys.com/products/discovery-studio/) (Supplementary figure, S4).

  1. Supplementary Material