Application of molecular simulation methods in food science: status and prospects
Y Yu, S Xu, R He, G Liang - Journal of Agricultural and Food …, 2023 - ACS Publications
Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …
simulation, and quantum chemical (QC) calculation, have become popular as …
Discovery of novel coumarin derivatives as potential dual inhibitors against α-glucosidase and α-amylase for the management of post-prandial hyperglycemia via …
Coumarin derivatives are proven for their therapeutic uses in several human diseases and
disorders such as inflammation, neurodegenerative disorders, cancer, fertility, and microbial …
disorders such as inflammation, neurodegenerative disorders, cancer, fertility, and microbial …
[HTML][HTML] Unlocking the potential of odor-induced sugar reduction: An updated review of the underlying mechanisms, substance selections, and technical …
L Zhu, F Pan, F Stöppelmann, J Liang, D Qin… - Trends in Food Science …, 2024 - Elsevier
Background In the context of increasing global health risks, including obesity, diabetes, and
cardiovascular diseases, odor-induced taste enhancement (OITE) has emerged as an …
cardiovascular diseases, odor-induced taste enhancement (OITE) has emerged as an …
Phyto-Computational Intervention of Diabetes Mellitus at Multiple Stages Using Isoeugenol from Ocimum tenuiflorum: A Combination of Pharmacokinetics and …
In the present study, the anti-diabetic potential of Ocimum tenuiflorum was investigated
using computational techniques for α-glucosidase, α-amylase, aldose reductase, and …
using computational techniques for α-glucosidase, α-amylase, aldose reductase, and …
Multiprotein inhibitory effect of dietary polyphenol rutin from whole green jackfruit flour targeting different stages of diabetes mellitus: defining a bio-computational …
The anti-diabetic potential of whole unripe jackfruit (peel with pulp, flake, and seed) was
investigated using inhibitory assays for α-glucosidase, α-amylase, aldose reductase, and …
investigated using inhibitory assays for α-glucosidase, α-amylase, aldose reductase, and …
Identification of the effective α-amylase inhibitors from Dalbergia odorifera: Virtual screening, spectroscopy, molecular docking, and molecular dynamic simulation
J Zhang, W Ding, Z Tang, Y Kong, J Liu… - Spectrochimica Acta Part A …, 2022 - Elsevier
Inhibiting the activity of α-amylase has been considered as one efficient way to prevent and
treat type 2 diabetes recently. Dalbergia odorifera, a kind of Leguminosae plant, has a …
treat type 2 diabetes recently. Dalbergia odorifera, a kind of Leguminosae plant, has a …
In silico analysis of marine natural product from sponge (Clathria Sp.) for their activity as inhibitor of SARS-CoV-2 Main Protease
DSF Ramadhan, F Siharis, S Abdurrahman… - Journal of …, 2022 - Taylor & Francis
The target for COVID-19 has been successfully crystallized along with its inhibitor, named
SARS-CoV-2 main protease, making it easier for drug discovery and development. Sponge …
SARS-CoV-2 main protease, making it easier for drug discovery and development. Sponge …
Molecular dynamics study of stigmasterol and beta-sitosterol of Morinda citrifolia L. towards α-amylase and α-glucosidase
Previous in vivo studies of Morinda citrifolia (Rubiaceae) reported that the extract inhibited α-
amylase and reduced blood glucose levels in streptozotocin-induced diabetes mice …
amylase and reduced blood glucose levels in streptozotocin-induced diabetes mice …
Investigating the multitargeted anti-diabetic potential of cucurbitane-type triterpenoid from Momordica charantia: an LC-MS, docking-based MM\GBSA and MD …
Type 2 diabetes accounts for the largest percentage of all diabetic cases worldwide.
Cucurbitane-type triterpenes are mainly found in Momordica charantia and possess …
Cucurbitane-type triterpenes are mainly found in Momordica charantia and possess …
Identifying Potential Human Monoacylglycerol Lipase Inhibitors from the Phytoconstituents of Morinda Citrifolia L. Fruits by in silico Pharmacology and in vitro Study
Background Human monoacylglycerol lipase (MGL) is accountable for the hydrolysis of 2-
arachidonoylglycerol (2-AG), thus contributing pivotally to neuroprotection because 2-AG is …
arachidonoylglycerol (2-AG), thus contributing pivotally to neuroprotection because 2-AG is …