Farnesol as a potential inhibitor in neuropathology of alzheimer’s disease: an in silico study

Objective: To estimateinsilico studies on farnesol as a potential inhibitor of Acetylcholinesterase (AchE), Butyrylcholinesterase (BchE), Angiotensin converting enzyme (ACE) in the treatment of Alzheimer’s disease. Methods: In the present in silico study, bioactive terpene farnesol were analysed for their inhibitory role on Acetylcholinesterase, Butyrylcholinesterase, Angiotensin converting enzyme activity by molecular docking studies. The in silico docking studies were carried out by using Accelrys Discovery Studio 4.1 client. Results: The CDOCKER energy of farnesol with Acetylcholinesterase showed binding energy -32.06 kcal/mol whereas Galantamine(S) showed binding energy 0.364 kcal/mol. Farnesol with Butyrylcholinesterase showed binding energy -34.21kcal/mol whereas Tacrine(S) showed binding energy 12.60 kcal/mol. Farnesol with Angiotensin converting enzyme showed binding energy -33.12 kcal/mol whereas Lisinopril(S) showed binding energy 38.65 kcal/mol. Conclusion: The present study reported that the bioactive terpene farnesol have good binding interactions with Acetylcholinesterase, Butyrylcholinesterase, Angiotensin converting enzyme when compared to the standard drugs Galantamine, Tacrine and Lisinopril respectively.