Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission System of respective journal.

Abstract

Molecular docking studies of quinoline-3-carbohydrazide as novel PTP1B inhibitors as potential antihyperglycemic agents

Author(s): Rohan V. Bamane, Trupti S. Chitre, Vijay K. Rakholiya

Binding modes of a series of quinoline-3-carbohydrazide as protein tyrosine phosphatase 1B (PTP 1B) inhibitors have been identified by molecular modeling techniques. We have performed docking and ADME predictions of these inhibitors with PTP 1B enzyme. As per our literature, we found that PTP1B is highly hydrophobic. The results indicate that quinoline-3- carbohydrazide for addition to hydrogen bonding interactions, Arg24, Asp48, Glu115, Lys116, Lys120, Cys215, Ser216, Ala217 amino acid residues of PTP 1B are responsible for governing inhibitor potency of the compounds. ADME predictions of 6 top selected compounds were done with Qikprop 3.2 tool available in Schrödinger 9.0 ver. The information generated from the present study should be useful in the design of more potent PTP1B inhibitors as antidiabetic agents.


PDF

FIND ARTICLES
SCImago Journal & Country Rank
Recommended Conferences
bornova escort karşıyaka escort osmangazi escort buca escort anne porno fetiş porno anal porno bartın escort burdur escort eskişehir escort escort izmir bursa escort porno escort bayan