Effect of Inhibiting Butyrylcholinesterase Activity Using Fractionated Coffee Extracts Digested In Vitro in Gastrointestinal Tract: Docking Simulation and Calorimetric and Studies

Abstract

Butyrylcholinesterase (BChE) is a major enzyme from the alpha-glycoprotein family that catalyzes the hydrolysis of neurotransmitter acetylcholine (ACh), lowering the concentration of ACh in the nervous system, which could cause aggravation of Alzheimer’s disease (AD). In select pathological conditions, it is beneficial to reduce the activity of this enzyme. The aim of this study was to evaluate the degree of BChE inhibition by coffee extracts fractionated into mono- and diesters of caffeic acid/caffeine, digested in vitro in the gastrointestinal tract. The bioactive compounds from coffee showed high affinity for BchE, −30.23–−15.28 kJ/mol, and was the highest for the caffeine fraction from the green Arabica extract. The isolated fractions were highly effective in inhibiting BChE activity at all in vitro digestion phases. It has been shown that the fractionation of coffee extracts could be potentially used to obtain high prophylactic or even therapeutic effectiveness against AD.

Effects of In Vitro Digestion of Polyphenols from Coffee on Binding Parameters to Human Topoisomerase II α

“…Fractions were isolated from coffee extracts using the CPC technique and contained some amounts of other compounds. Fractionation and digestion of preparations from the coffee extracts were described in our previous work [ 39 ]. Coffee fractions were subjected to ITC analysis ( Table 3 ) and also to molecular docking (mixture of the main compounds of the fraction) ( Table 4 ).…”

“…188% (light roasted) and 220–304% (dark roasted), respectively. The concentration of caffeine in the isolated fraction rich in this compound from coffee extracts was slightly reduced as a result of digestion; in the case of green and roasted coffee extracts, by 8 and 5%, respectively [ 39 ].…”

“…With the increase in the degree of coffee roasting, a decrease in the survival rate of lactic acid bacteria was demonstrated [ 37 ]. Fractions isolated from coffee extracts caused the highest survival in the case of dichlorogenic acids, reducing the number by 42%, while the remaining fractions reduced the number by more than 50% [ 39 ].…”

Effect of the roasting level on the content of bioactive and aromatic compounds in Arabica coffee beans

“…The highest total phenolic content was detected in the green coffee (32.30 mg g -1 ). Grzelczyk et al (2023) indicated potential pro-health effects of enzymes contained in coffee extracts on the human organism, with the greatest potential exhibited by isolates of dichlorogenic acids from green Arabica coffee (Grzelczyk et al, 2023). Each subsequent coffee roasting at increasing temperatures reduced the content of phenolic compounds as follows: from 11.8 mg g -1 in Cinnamon roast coffee and 9.26 mg g -1 in American roast to 8.25 mg g -1 in Italian roast.…”