WJPPS Citation

Login

Search

News & Updation

  • Updated Version
  • WJPPS introducing updated version of OSTS (online submission and tracking system), which have dedicated control panel for both author and reviewer. Using this control panel author can submit manuscript
  • Call for Paper
    • WJPPS  Invited to submit your valuable manuscripts for Coming Issue.
  • Journal web site support Internet Explorer, Google Chrome, Mozilla Firefox, Opera, Saffari for easy download of article without any trouble.
  •  
  • New Impact Factor
  • WJPPS Impact Factor has been Increased to 8.025 for Year 2024.

  • WJPPS: MARCH ISSUE PUBLISHED
  • March Issue has been successfully launched on 1 March 2024.

  • ICV
  • WJPPS Rank with Index Copernicus Value 84.65 due to high reputation at International Level

  • Scope Indexed
  • WJPPS is indexed in Scope Database based on the recommendation of the Content Selection Committee (CSC).

Abstract

QSAR AND MOLECULAR DOCKING STUDIES OF INHIBITION ACTIVITY OF 2-AMINOCYANO-6-(1H-INDOL-3-YL)-4-PHENYL PYRIDINE DERIVATIVES AGAINST MITOGEN ACTIVATED PROTEIN KINASE -2

Arun Gupta, Sumit Prachand, Shikha Jain, Himmat Singh, Sandeep Singh Parihar, and Swatantra Kumar Mishra*

ABSTRACT

In the present study, QSAR and molecular docking studies were applied to understand the nature of 2-amino-3-cyano-6-(1H-indol-3-yl)-4-Phenyl pyridine derivatives and to Investigate the interactions with binding sites on Mitogen activated protein kinase -2 (MAPK-2). The best QSAR model was selected, having the correlation coefficient r = 0.933, squared correlation coefficient r 2 = 0.873, standard deviation s = 0.357, and cross-validated squared correlation coefficient Q2 = 0.737. The QSAR model indicated that the descriptors 3D-MoRSE descriptors Mor29v (signal 29 / weighted by van der Waals volume) and GETAWAY R-indices R1m (R autocorrelation of lag 1/weighted by mass) are contribute positively while negatively contributed by Atom-centered fragments C-026 (R-CX-R).and play an important role in MAPK-2 inhibitor activities. A docking study was also utilized to visualize the interactions between the selected SW-19, as MAPK-2 The results of the present study may be useful in the designing of more potent 2-amino-3-cyano-6-(1H-indol-3-yl)-4-Phenyl pyridine derivatives as MAPK-2 inhibitor agents.

Keywords: Cancer, QSAR, docking, molecular docking, MAPK-2, MVD.


[Download Article]     [Download Certifiate]

Call for Paper

World Journal of Pharmacy and Pharmaceutical Sciences (WJPPS)
Read More

Online Submission

World Journal of Pharmacy and Pharmaceutical Sciences (WJPPS)
Read More

Email & SMS Alert

World Journal of Pharmacy and Pharmaceutical Sciences (WJPPS)
Read More