Document Type : Original Article

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1 Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Medical Sciences/University of Tehran 14155-6451, Iran

2 Postgraduate Researcher ACROSS ​Centre (Australian Centre for Research on Separation Science) University of Tasmania Hobart​, Australia

Received: 03 January 2017                        Revised: 14 February 2017                                  Accepted: 01 March 2017

 10.22034/MBT.2017.60337                                                              XML Files


Apoptosis is very important in the regulation of immune system and any disorder in this process leads to major disease, such as cancer, autoimmune disease and neurodegenerative disorders like ischemia, Alzheimer.
The main rout in apoptosis involves caspase signalling pathway. As caspase-9 function as an initiator in the caspase-cascade, so inhibition of this caspase can stop apoptosis or slow down it. Computational-drug design can be utilized to predict theoretically active and potent inhibitors for target macromolecules. Among all drug design software, Autodock and Ligandscout for docking and pharmacophore screening respectively are helpful software to achieve target inhibitors object.  We used these methods to identify potent substrate inhibitors of caspase-9.

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