Asian Journal of Research In Chemistry
  • Year: 2012
  • Volume: 5
  • Issue: 3

Physiochemical Investigation and Role of Indicator Parameter in the Modeling of Tetrahydroimidazole Benzodiazepine -1-one (TIBO): A QSAR Study

  • Author:
  • Lokendra Kumar Ojha1,, Ajay M Chaturvedi1, Arpan Bhardwaj1, Abhilash Thakur2, Mamta Thakur3
  • Total Page Count: 6
  • Page Number: 377 to 382

1Department of Chemistry, Govt. Madhav Science PG College, Ujjain (MP), INDIA

2Department of Applied Science, NITTTR, Bhopal (MP), INDIA

3Department of Pharma. Chemistry, Softvision College, Indore (MP), INDIA

*Corresponding Author E-mail: ojha_lokendra@rediffmail.com

Online published on 7 February, 2013.

Abstract

The aim of the author in this paper is to emphasize the role of indicator parameter for TIBO 89 derivatives with the help of computational drug design. A QSAR study has been carried out to know the drug receptor binding affinity of the TIBO derivatives. In this regard multiple linear regression analysis (MLR) method has been used and different indicator parameter is used to obtain the better mathematical model in the particular set. The substitution at the –Z position on five member ring, –R position on seven member ring and –X position on benzene ring plays vital role in this concern. The statistical analysis multiple R=.9170, standard error of estimation (Se=.5572) and Fisher Ratio (F= 122.383) values gives the satisfactory explanation of the data set to know the effect of indicator parameter on the biological activity.

Keywords

Drug design, Multiple Linear Regression (MLR), Biological activity, Physiochemical parameter, Molecular Modeling