Journal of Carcinogenesis & Mutagenesis

Prakash Amresh

Publications

• Research Article
  Receptor Chemoprint Derived Pharmacophore Model for Development of CAIX Inhibitors
  Author(s): Prakash Amresh, Kundan Kumar, Asimul Islam, Md. Imtaiyaz Hassan and Faizan AhmadPrakash Amresh, Kundan Kumar, Asimul Islam, Md. Imtaiyaz Hassan and Faizan Ahmad
  
  Background: Carbonic anhydrase IX (CAIX) is an attractive target for anticancer therapy because it is selectively overexpressed in tumor cells. Various CAs’ inhibitors (sulfonamides/sulfaumates and coumarins) are reported as promising anti-cancer agents, showed appreciable affinity and selectivity. Novel chemical scaffolds with improved pharmacological properties are essential for the development of safe and potent CAIX inhibitors. Materials and methods: Crystal structure of CAIX with its inhibitors revealed critical residues of CAIX that interacts to inhibitor(s). These information was used to design a receptor-chemoprint based pharmacophore model. In silico pharmacokinetic assays were carried for novel hits with both ADMET and TOPKAT tools of Discovery Studio 3.5. Results: Pharmacophore model consists of one hydrogen bond donor, three hydrogen bond acceptors, and two hydrophob.. View More»
  DOI: 10.4172/2157-2518.S8-003

  Abstract PDF