DRUG LIKENESS AND PHYSICOCHEMICAL PROPERTIES EVALUATION OF THE ALKALOIDS FOUND IN BLACK PEPPER: PIPERINE, PIPERIDINE, PIPERETTINE AND PIPERANINE
Essa Ajmi Alodeani, Mohammad Arshad*, Mohammad Asrar Izhari
ABSTRACT
The alkaloids found in black pepper 1-4 were evaluated for their drug likeness and physicochemical properties using
Lipinski’s rule of five and Molinspiration (web based software). The results of computational studies revealed that
all alkaloid were found to possess good bioactivity score except piperidine. It indicates that only the combination of
all these three functionality (the piperonal nucleus, piperidine nucleus and the presences of α-β-unsaturated ketonic
group) is responsible to exhibit biological activity. To study the biological activity of black pepper extracts, piperine
and its derivatives have been long targeted by researchers and still aimed. Our study will help researchers for further
developments with black pepper alkaloids.
Keywords: Black pepper alkaloids, drug likeness and physicochemical properties.
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