Medicinal Chemistry

Prithvi Singh

Publications

• Research Article
  Chemometric Descriptor Based QSAR Rationales for the MMP-13 Inhibition Activity of Non-Zinc-Chelating Compounds
  Author(s): Brij Kishore Sharma and Prithvi SinghBrij Kishore Sharma and Prithvi Singh
  
  The MMP-13 inhibition activity of non-zinc-chelating compounds has been quantitatively analyzed in terms of chemometric descriptors. The statistically validated quantitative structure-activity relationship (QSAR) models provided rationales to explain the inhibition activity of these compounds. The descriptors, identified through combinatorial protocol in multiple linear regression (CP-MLR) analysis, have highlighted the role of 3-path Kier alpha-modified shape index (S3K), complementary information content index of 1-order neighborhood symmetry (CIC1), eigenvalue sum from mass weighted distance matrix (SEigm), lowest eigenvalue n. 6 of Burden matrix / weighted by atomic van der Waals volumes (BELv6) and by atomic polarizabilities (BELp6), 3-order topological charge index (GGI3) and the functionality, R--CR--R (C-025). From statistically validated models, it appeared that the descripto.. Read More»
  DOI: 10.4172/2161-0444.1000134

  Abstract PDF