Combinatorial Chemistry & High Throughput Screening

Rathnam Chaguturu 
iDDPartners, 3 Edith Court
Princeton Junction
NJ 08550


Docking-related survey on Natural-product-based new monoamine oxidase inhibitors and their therapeutic potential

(E-pub Abstract Ahead of Print)

Author(s): Priyanka Dhiman, Neelam Malik, Anurag Khatkar.


This is an exciting period for research on monoamine oxidase and its effects on central nervous system. As the current hitting-one-target therapeutic strategy has become quite inefficient for the treatment of various neurological disorders. The objective of this review is to identify and critically discuss the computational development of multi-target natural and related ligand-MAO protein docking approaches in the study of monoamine oxidase (MAO) enzymes. Computational development of the new compounds form natural and related synthetic origin, active as MAO inhibitors (MAOIs) were discussed in some detail. The docking studies related to the alkaloids and their various categories secondary metabolites from plants like alkaloids, flavonoids and xanthones class of compounds specially caffeine, β-carboline, naphthoquinone, morpholine, piperine, amphetamine furthermore curcumin, eugenol, trans-Farnesol and many other extracted plant constituents with their docking studies were discussed in detail. It is apparent that, by this computational docking approach, more selective, reversible and potent molecules could be proposed as MAO inhibitors by precise modifications on the basic scaffold.

Keywords: Docking calculations, monoamine oxidase, MAO binding site, monoamine oxidase inhibitors, natural inhibitors.

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Article Details

Year: 2017
(E-pub Abstract Ahead of Print)
DOI: 10.2174/1386207320666170414102814
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