Journal of Computer Science & Systems Biology

N.S. Desai

Publications

• Research Article
  Computer Aided Drug Designing Using Phytochemicals- Bacoside A3 and Myricetin and Nitric Oxide Donors-S-Nitroso N-Acetylpenicillamine and Nitroglycerin as a Potential Treatment of Pancreatic Cancer
  Author(s): N.S. Desai and Mohini GoreN.S. Desai and Mohini Gore
  
  Pancreatic cancer is one of the most aggressive malignant cancers with a high metastatic rate and a very poor prognosis. Tissue Transglutaminase 2 (TG2), Matrix metalloproteinase 2 (MMP2) and Matrix metalloproteinase 9 (MMP9) are up regulated in pancreatic cancer and have been implicated in cancer metastasis. Nitric oxide (NO) can inhibit enzymatic activity of TG2. Inhibition of TG2 by NO donors- nitroglycerin and S-nitroso-N-acetylpenicillamine may offer a novel strategy for anticancer therapy. Phytochemicals namely, Bacoside A3 and Myricetin have an inhibitory effect on proteins MMP2 and MMP9. Computer aided drug designing is being used extensively to establish potential drugs for the treatment and containment of various diseases including cancer. In this in- silico study, we have generated 3 D structures of TG2, MMP2 and MMP9 using Homology Modeling. Ch.. Read More»
  DOI: 10.4172/jcsb.1000083

  Abstract PDF