Evaluation on Bioactive Compounds of Indonesian Black Tea Using In Silico and In Vitro Methods as Acetylcholinesterase Inhibitors Rosi Nur Azizah*, Ihsanawati
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Bandung Institute of Technology
Jalan Ganesha 10, Bandung 40132, Indonesia
*20520030[at]mahasiswa.itb.ac.id
Abstract
Alzheimer (AD) is neurodegenerative disease characterized by accumulation of \beta-amyloid plaque and NFT. Problems associated with AD are expensive to treat, unclear etiology and side effects of treatment. Back to nature is becoming a trend, including in overcoming AD. Black tea is an herbal drink that is rich in bioactive compounds. The aims of this study are to obtain candidates for acetylcholinesterase inhibitors from Indonesian black tea using in silico and in vitro methods and compared its inhibitory power against standard donepezil with low cost and low risk. The stage of this research are (1) identification inhibitory profile of black tea bioactive compounds by molecular docking method, (2) isolation and separation bioactive compounds from Indonesian black tea, (3) inhibition test and (4) structure identification using LC-MS/MS. Based on in silico method, the candidate acetylcholinesterase inhibitors are theaflagallin which has hydrophobic and hydrogen interactions. Based on in vitro method, the best candidates for acetylcholinesterase inhibitors are ITB_TW_2, ITB_TW_6, ITB_TW_8, ITB_TW_15, ITB_TB_1, ITB_TB_7, ITB_TB_8 and ITB_TB_14. LC-MS/MS analysis for ITB_TW_2 and ITB_TB_1 showed the highest abundance was epicatechin. Thus, black tea bioactive compounds have potential as acetylcholinesterase inhibitors and can be used as potential drug candidates to replace donepezil for AD treatment.
Keywords: alzheimer, acetylcholinesterase, acetylcholinesterase inhibitor and Indonesian black tea
