Home | Articles
Published on:December, 2015
Indian Journal of Pharmaceutical Education and Research, 2016; 50(1):116-122
Pharmaceutical Research | doi:10.5530/ijper.50.1.15

Molecular Docking Study of Cassia tora, Brassica campestris and Calotropis procera as Acetylcholinesterase Inhibitor


Authors and affiliation (s):

Malabade Rohit H*, Taranalli Ashok D, Rasal Vijaykumar, Kamlesh Kashniyal

Depatment of Pharmacology, KLE University’s college of Pharmacy, Belagavi, Karnataka, India.

Abstract:

Acetylcholinesterase inhibitor is the only standard and FDA approved drug therapy for Alzheimer’s disease and its associated disorders. Numerous plants and their phytoconstituent are being reported to inhibit acetylcholinesterase. To get insight of the intermolecular interactions, the molecular docking studies are performed at active site of acetylcholinesterase enzyme. In this study, an attempt is made for identification of potential ligands from selected 30 compounds which are reported to be present in Cassia tora, Brassica campestris and Calotropis procera, targeted against acetylcholinesterase using molecular modelling and docking studies. The relative binding affinity of the compounds towards AChE was selected on the basis of docking score, GLIDE score and interaction patterns. Several compounds showed strong hydrogen bonding to several important amino acid residues and their hydrophobic interactions could also explain their potency to inhibit acetylcholinesterase. These compounds belong to different classes like flavonoids, vitamin, cardenolides and etc. Some of these compounds have been reported for their beneficial effect on dementia related disorders, while remaining are suggested to be potential acetylcholinesterase inhibitors. Hence, this study provides evidence for consideration of valuable ligand molecule as potential acetylcholinesterase inhibitor and further in vitro and in vivo investigations may prove its therapeutic potential.

Key words: Alzheimer’s disease, Molecular Docking, Phytoconstituent, Virtual screening. Cognition enhancer.

 

Articles in PDF, ePUB and Full text are attached to this page. In order to download, print or access these formats you must be logged in.
CAPTCHA
This question is for testing whether you are a human visitor and to prevent automated spam submissions.
3 + 12 =
Solve this simple math problem and enter the result. E.g. for 1+3, enter 4.




 

Impact Factor

IJPER - An Official Publication of Association of Pharmaceutical Teachers of India is pleased to announce continued growth in the 2019 Release of Journal Citation Reports (source: 2018 Web of Science Data).

 

Impact Factor® as reported in the 2018 Journal Citation Reports® (Clarivate Analytics, 2019): 0.425

User login

CAPTCHA
This question is for testing whether you are a human visitor and to prevent automated spam submissions.
1 + 3 =
Solve this simple math problem and enter the result. E.g. for 1+3, enter 4.

The Official Journal of Association of Pharmaceutical Teachers of India (APTI)
(Registered under Registration of Societies Act XXI of 1860 No. 122 of 1966-1967, Lucknow)

Indian Journal of Pharmaceutical Education and Research (IJPER) [ISSN-0019-5464] is the official journal of Association of Pharmaceutical Teachers of India (APTI) and is being published since 1967.

DOI HISTORY

IJPER uses reference linking service using Digital Object Identifiers (DOI) by Crossref. Articles from the year 2013 are being assigned DOIs for its permanent URLs