Molecular modeling and dynamics simulation of alcohol dehydrogenase enzyme from high efficacy cellulosic ethanol-producing yeast mutant strain<i>Pichia kudriavzevii</i>BGY1-γm

Bisht, N. S.; Dalal, Vikram; Tewari, Lakshmi

doi:10.1080/07391102.2021.1967196

Cited by 5 publications

(1 citation statement)

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“…20 Differences in the binding energy and stability of ADH-ligand complex has been observed depending on the source. For example, the ADH from ethanol-producing yeast mutant strain Pichia kudriavzevii BGY1-γm produce a protein-ligand complex that is stable with low binding energy, 21 the ADH from Synechocystis sp. PCC 6803 has more active/binding sites than the ADH from horse liver.…”

Section: Introductionmentioning

confidence: 99%

Molecular Docking and Dynamics Study of Compounds from Combretum indicum var. B Seeds as Alcohol Dehydrogenase Inhibitors

2023

TJNPR

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Oxalic acid reacts with calcium to produce oxalic acid monohydrate (water-insoluble). 5 Oxalic acid monohydrate is retained in the tubules and causes renal irritation. Acute tubular damage results as a result of nephrotoxic compounds which affect the kidney's ability to transport, process, and excrete drugs. 6 An approach in the treatment of acute kidney failure due to ethylene glycol is the use of fomepizole and ethanol, which are competitive inhibitors of ADH. 7 Due to the significant variation in the elimination process, including the cost of fomepizole and the difficulty in maintaining therapeutic concentration of ethanol, numerous alternative therapies have continued to evolve. 8 An approach which involves the in silico identification of compounds that can serve as potential inhibitors of ADH was employed in this study. Combretum, particularly Combretum indicum L. var. B (also known as Quisqualis indica L.), is a plant frequently used to treat liver diseases. Several species of the genus Combretum have been studied and found to possess hepatoprotective properties. 9-13 For instance, the water extract of Combretum dolichopentalum leaves have been found to protect liver cells from CCl4induced hepatic damage. 14 Combretum sericeum root water extract have also been shown to protect the liver from paracetamol-induced hepatic damage, and caused a decrease in alanine transminase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), creatinine (CRT), urea, cholesterol, and triacylglycerol as well as an increased levels of superoxide dismutase (SOD), catalase (CAT), and thiobarbituric acid reactive substances (TBARS). 15 Similarly, Combretum albidum has also shown hepatoprotective ability against CCl4-induced toxicity by reducing the levels of ALT, AST, ALP, total bilirubin (TB), and TBARS, and antioxidants activity by increasing levels of reduced glutathione (GSH), superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPx), glutathione-s-transferase (GST), and total protein (TP). 13 The water extract of Combretum micranthum leaves also have

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Section: Introductionmentioning

confidence: 99%