The work describe for the first time the inhibitory activities of some natural compounds on a specific enzymatic target for therapeutic purpose.
The in vitro study is already acheived and we look for the in silico mechanism to choose the potent inhibitors for futher kinetic studies and characterization.
If you are interested please email me at : [email protected]
Best regards
Dear Dr. Marmouzi,
What type of natural compounds you want to dock? Can you mention the enzymatic target?
Thanks.
please have a look at my last works, I 'm in charge of the docking part
I recommend you can use molecular dynamic (too) to get predicted results that are close to the actual conditions. Virtual screening is only the first step to get potential compounds to target.
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