Bioactivity of hamamelitannin, flavokawain A, and triacetyl resveratrol as natural compounds: Molecular docking study, anticolon cancer, and anti‐Alzheimer potentials

Abstract

In this study, we worked on anticolon cancer effects and anti‐Alzheimer's disease with molecular docking studies. Hamamelitannin, flavokawain A, and triacetyl resveratrol compounds showed good inhibitory activities on acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes. The inhibition effects of flavokawain A, hamamelitannin, and triacetyl resveratrol on AChE and BuChE enzymes were determined spectrophotometrically conforming to Ellman. IC50 values of these enzymes were ranging between 0.95 ± 0.12 and 93.27 ± 8.14 nM for AChE and 5.71 ± 0.77 and 52.10 ± 8.41 nM for BuChE. The inhibitory activities of some chemical compounds such as flavokawain A, hamamelitannin, and triacetyl resveratrol were assessed by performing the molecular docking study in the presence of AChE and BuChE. Also, the features of the ligand–enzyme complex had value of −7.722 kcal/mol for flavokawain A against AChE and −5.530 kcal/mol against BuChE. The molecular docking calculations indicated the probable interactions and their characteristics at an atomic level. Due to the outcomes gained from docking, the affinity of the chemical compounds to the enzymes was considerable. In vitro cell viabilities of flavokawain A, hamamelitannin, and triacetyl resveratrol with various concentrations on SW620, DLD‐1, HT29, HCT8, and HCT116 were investigated by MTT assay with Doxorubicin as the control compound.

Ginnalin A and hamamelitannin: the unique gallotannins with promising anti-carcinogenic potential

“…Similarly, HAM was also reported to be an anticancer, anti-inflammatory, antioxidant agent as well as a quorum sensing inhibitor as established in earlier studies in the literature [25][26][27][28][29][30][31]. It was observed in a study that HAM possessed anti-colon cancer activities as it showed lower IC 50 values against various colorectal cell lines in MTT assay.…”

“…It was observed in a study that HAM possessed anti-colon cancer activities as it showed lower IC 50 values against various colorectal cell lines in MTT assay. The cell lines were SW620, DLD-1, HT29, HCT8, and HCT116 and the standard used was doxorubicin [ 27 ]. In another set of experiments, HAM was found to be active against chemokine (C-C motif) ligand 26 (CCL26), K10, and cell proliferation and hence hindered the interleukin-4 (IL-4) inflammatory pathway.…”

From Hamamelitannin Synthesis to the Study of Enzymatic Acylations of D-Hamamelose

“…The antiviral efficacy against influenza A virus and human papillomavirus of tannins from Hamamelis virginiana bark extract has also been demonstrated [ 32 ]. Gallotannin 1 has also become a relatively successful molecule in various in silico screening models aimed at studying the inhibition of proteins important in the process of carcinogenesis, atherosclerosis, or SARS-CoV-2 disease [ 33 , 34 , 35 , 36 ].…”