Discovery of α-amylase and α-glucosidase dual inhibitors from NPASS database for management of Type 2 Diabetes Mellitus: A chemoinformatic approach

Postprandial hyperglycemia, typical manifestation of Type 2 Diabetes Mellitus (T2DM), is associated with notable global morbidity and mortality. Preventing the advancement of this condition by delaying the rate of glucose absorption through inhibition of α-amylase and α-glucosidase enzymatic activit...

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Veröffentlicht in:	PloS one 2024-11, Vol.19 (11), p.e0313758
Hauptverfasser:	Ndarawit, Wilberforce, Ochieng, Charles Otieno, Angwenyi, David, Cruz, Jorddy N, Santos, Cleydson B R, Kimani, Njogu M
Format:	Artikel
Sprache:	eng
Schlagworte:	alpha-Amylases - antagonists & inhibitors alpha-Amylases - chemistry alpha-Amylases - metabolism alpha-Glucosidases - chemistry alpha-Glucosidases - metabolism Amino acids Amylases Antidiabetics Artificial intelligence Binding energy Biology and Life Sciences CAD Chemical bonds Cheminformatics - methods Computer aided design Computer and Information Sciences Diabetes Diabetes mellitus Diabetes mellitus (non-insulin dependent) Diabetes Mellitus, Type 2 - drug therapy Drug development Engineering and Technology Enzymatic activity Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Enzyme Inhibitors - therapeutic use Enzymes Glucosidase Glycoside Hydrolase Inhibitors - chemistry Glycoside Hydrolase Inhibitors - pharmacology Glycoside Hydrolase Inhibitors - therapeutic use Humans Hydrophobicity Hyperglycemia Hypoglycemic Agents - chemistry Hypoglycemic Agents - pharmacology Hypoglycemic Agents - therapeutic use Inhibitor drugs Inhibitors Medicine and Health Sciences Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation Morbidity Natural products Pharmacokinetics Pharmacology Physical Sciences Side effects Software Toxicity α-Amylase α-Glucosidase
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