SCHIZOPHRENIA: A LOOK FORWARD WITH ZINC06025953Abstract
Phosphodiesterase PDE10A is an enzyme that has established connection earlier with schizophrenic condition, schizophrenia is well known severely chronic and disabling disease worldwide today. Unfortunately, there is no concrete evidence till day to point out as a single cause of this disease. However, in a recent work a research team of Merck Research Group recognized earlier pyp-1 as an effective drug like lead(DLL) after a long term “in vitro” experimentations, to inhibit phosphodiesterase PDE10A to control the schizophrenic conditions. Herein we carry forward this work to “in silico” way to find similar/more efficient molecules in “ZINC” DL (Drug Like) molecular structure bank (zincdocking.org) in consideration with pyp-1 as a standard molecular structure for our work, docking has been performed with separated DL (Drug Like) molecular structures as similar to “pyp-1”, using similarity measures “tanimoto” binding efficacy and drug properties are computed out and analyzed, the outcomes of that work has been reported. The ZINC06025953 molecular structure pointed out that it may acts as a potential drug like lead(DLL), it all on that of the computation ground. Further, need the herein virtual laboratory work an experimental verification, for that synthesis and drug ability check out, off course in a real laboratory equipped with adequate facilities.
Rituraj * and K. K. Srivastava
Department of Chemistry, Vinoba Bhave University, Hazaribag, Jharkhand, India.
14 October, 2016
14 December, 2016
31 December, 2016
01 May, 2017