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em In silico /em rational investigation of C-terminal arginine-containing white Lupin ( em Lupinus albus /em ) protein-derived peptides as arginase inhibitors

Author(s): Chukwuejim S; Fatoki TH; Aluko RE;

Arginase is a binuclear manganese metalloenzyme that modulates L-arginine availability and downstream metabolic pathways. It was hypothesized that C-terminal arginine-containing peptides generated through simulated gastrointestinal digestion of white lupin (Lupinus albus) proteins would exhibit arginase inhibitory activity. To test this hypothesis, integr ...

Article GUID: 42232067


In silico molecular targets, docking, dynamics simulation and physiologically based pharmacokinetics modeling of oritavancin

Author(s): Fatoki TH; Balogun TC; Ojewuyi AE; Omole AC; Olukayode OV; Adewumi AP; Umesi AJ; Ijeoma NP; Apooyin AE; Chinedu CP; Idowu IE; Isah MJ;

Introduction: Oritavancin is a semi-synthetic lipoglycopeptide antibiotic primarily used to treat serious infections caused by Gram-positive bacteria. The aim of this study was to elucidate possible molecular targets of oritavancin in human and microbes in relevance to its mechanism of action and ...

Article GUID: 39439008


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