Anticancer Activity of Enantiomeric Neplanocins A: Exploring the Role of Chirality in Tumor Suppression

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(3), P. 1308 - 1308

Published: Feb. 4, 2025

Neplanocin A (NPA) is a natural carbocyclic analogue of adenosine that was isolated from Ampullariella regularis, which known for its antibacterial, antiviral, and anticancer activity. Although the activity this compound has been demonstrated in many biological models, mechanism not fully understood. In current work, we present comparison two enantiomers neplanocin series cancerous non-cancerous cell types. all tested lines, with stereochemistry, (-)-NPA, found to be more cytotoxic than synthetic (+)-NPA derivative; however, sensitivity neplanocins varied between To determine possible reasons observed differences individual cancer types, expression level effects genes adenosine-interacting enzymes were analyzed. Bioinformatic analysis interaction (-)-NPA major enzymes, such as kinase (ADK), deaminases (ADA ADA2), S-adenosylhomocysteine hydrolase (SAHH, AHCY), performed. The molecular docking results revealed binding energy targets, sheds new light on action these analogues.

Language: Английский

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Revealing the antioxidant properties of alkyl gallates: a novel approach through quantum chemical calculations and molecular docking

Journal of Molecular Modeling, Journal Year: 2024, Volume and Issue: 30(12)

Published: Nov. 15, 2024

Language: Английский

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