Background: Parkinson’s disease commonly characterised as a neurodegenerative disease
affecting the global population in the upper age limit affecting movement and is identified by
stopped posture, shaking hands and frequent tremors. The difficulty in the treatment of the disease
arises due to the fact that a considerable time lag exists between the onset of the disease internally
and appearance of the disease symptoms. The symptoms of Parkinson's disease are caused by
reduction in the levels of dopamine neurotransmitter in the brain due to nerve cell damage in the
Objective: The primary treatment of the disease aims to restore the proper balance of the neurotransmitters
acetylcholine and dopamine by increasing dopamine levels. In addition to the dopamine
agonists, several mono amino oxidase B (MAO-B) inhibitors, anticholinergics and Catechol-
O-methyltransferase (COMT) inhibitors have also been proposed for the treatment of the disease.
Method: Based on the need for searching target specific drug molecules with potential therapeutic
efficacy, design of new chemical entities using recent approaches in the field of drug discovery
has drawn attention of a wide group of medicinal chemist. In this aspect, chemometrics proposing
the concept of computer-aided drug design (CADD) has been adopted widely for the purpose of
database searching and design of molecules with improved anti-parkinsonian potential.
Results: In the current review, an attempt has been made to explore the CADD methodology in
the field of drug discovery related to identification of molecules that may be utilised for alleviating
symptoms related to Parkinson’s disease.
Conclusion: The works reported by the different groups of authors further help in the identification
of the biological pharmacophore of the anti-parkinsonian agents and determine their degree of
interaction with the corresponding receptor. However, the literature search made in this review is
an exhaustive one and other additional works have also been performed by other different groups
of researchers in this field.