©1996-2019. All Rights Reserved. Online Journal of Bioinformatics . You may not store these pages in any form except for your own personal use. All other usage or distribution is illegal under international copyright treaties. Permission to use any of these pages in any other way besides the before mentioned must be gained in writing from the publisher. This article is exclusively copyrighted in its entirety to OJB publications. This article may be copied once but may not be, reproduced or re-transmitted without the express permission of the editors. This journal satisfies the refereeing requirements (DEST) for the Higher Education Research Data Collection (Australia). Linking: To link to this page or any pages linking to this page you must link directly to this page only here rather than put up your own page.
Online Journal of Bioinformatics ©
Volume 15 (2): 168-177, 2014.
Molecular dynamic differences between isoform specific and class I PI3K inhibitors
Awantika Shrivastava, K Durga Prasad1 and Archana Giri2
Natco Research Centre, B-13, Industrial estate, Sanath Nagar, Hyderabad, Department of Biotechnology, JNTU, Kukatpally, Hyderabad, India
Shrivastava A, Prasad KD, Giri A., Molecular dynamic differences between isoform specific and class I PI3K inhibitors, Onl J Bioinform., 15 (2): 168-177, 2014. Class I Pan PI3K inhibitors are toxic but isoform specific inhibitors of the same compound may not be. Differences between isoform specific inhibitor GS-1101 over Class I PI3K GDC-0941, WORTMANNIN & LY294002. GS-1101(IDEALISISB) were docked in the binding site of 4 different isoforms 3DBS (p110 Gamma), 2Y3A (pI3k BETA), 2WXP (PI3K DELTA) & 4A55 (P110 ALPHA) and compared with docking of Class I Pan PI3K GDC -0941 vs. isoform specific inhibitor. The bound conformation of the isoform specific inhibitor was predicted by molecular dynamics.
Keywords- Molecular docking studies, sequence Analysis, PI3K, ligandfit.