Drug Repurposing for Inhibiting Triose Phosphate Isomerase of Giardia lamblia (GlTIM) Using a Computational Approach DOI

Adnan Shehzad,

Fazal Rabi,

N S Shah

и другие.

Indus journal of bioscience research., Год журнала: 2025, Номер 3(2), С. 719 - 724

Опубликована: Март 18, 2025

Background: Giardiasis is caused by an intestinal flagellated protozoan parasite, Giardia lamblia. This pathogen can infect many hosts, including domestic and wild animals humans. It responsible for 280 million symptomatic individuals worldwide, with a prevalence of 2 to 5% in industrialized countries 20 30% developing countries. Few antiprotozoal drugs are used cure giardiasis; albeit the resistance shown parasite these drugs. Alternative continuously needed be developed. One key proteins target lamblia Triose phosphate Isomerase (GlTIM), enzyme involved glycolysis as well gluconeogenesis. The present study was designed find inhibitors GlTIM through insilico approach, utilizing that already use other diseases.Methods: 3D structure obtained from protein database. From ChemSpider, one hundred forty potential drugs, approved FDA, were retrieved docked PatchDock server, results highest interactions selected. GS viewer LIGPLOT+ visualize interactions, which included hydrogen bonding, covalent hydrophobic interactions.Results: Interactions active site residues suggest possible inhibition ligands potentiate. interaction current include Daptomycin, Vancomycin Cefazedone.Conclusions: demonstrates drug repurposing important pharmaceutical strategy yield new therapeutics less time fewer resources this parasitic disease.

Язык: Английский

Drug Repurposing for Inhibiting Triose Phosphate Isomerase of Giardia lamblia (GlTIM) Using a Computational Approach DOI

Adnan Shehzad,

Fazal Rabi,

N S Shah

и другие.

Indus journal of bioscience research., Год журнала: 2025, Номер 3(2), С. 719 - 724

Опубликована: Март 18, 2025

Background: Giardiasis is caused by an intestinal flagellated protozoan parasite, Giardia lamblia. This pathogen can infect many hosts, including domestic and wild animals humans. It responsible for 280 million symptomatic individuals worldwide, with a prevalence of 2 to 5% in industrialized countries 20 30% developing countries. Few antiprotozoal drugs are used cure giardiasis; albeit the resistance shown parasite these drugs. Alternative continuously needed be developed. One key proteins target lamblia Triose phosphate Isomerase (GlTIM), enzyme involved glycolysis as well gluconeogenesis. The present study was designed find inhibitors GlTIM through insilico approach, utilizing that already use other diseases.Methods: 3D structure obtained from protein database. From ChemSpider, one hundred forty potential drugs, approved FDA, were retrieved docked PatchDock server, results highest interactions selected. GS viewer LIGPLOT+ visualize interactions, which included hydrogen bonding, covalent hydrophobic interactions.Results: Interactions active site residues suggest possible inhibition ligands potentiate. interaction current include Daptomycin, Vancomycin Cefazedone.Conclusions: demonstrates drug repurposing important pharmaceutical strategy yield new therapeutics less time fewer resources this parasitic disease.

Язык: Английский

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