Establishing the Thermodynamic Cards of Dipine Models’ Oxidative Metabolism on 21 Potential Elementary Steps DOI Creative Commons
Guang‐Bin Shen,

Shun-Hang Gao,

Yanwei Jia

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(15), P. 3706 - 3706

Published: Aug. 5, 2024

Dipines are a type of important antihypertensive drug as L-calcium channel blockers, whose core skeleton is the 1,4-dihydropyridine structure. Since dihydropyridine ring key structural factor for biological activity, thermodynamics aromatization significant feature parameter understanding mechanism and pathways dipine metabolism in vivo. Herein, 4-substituted-phenyl-2,6-dimethyl-3,5-diethyl-formate-1,4-dihydropyridines refined structurally closest models to investigate thermodynamic potential oxidative metabolism. In this work, cards models' on 21 elementary steps acetonitrile have been established. Based cards, properties related intermediates acting electrons, hydrides, hydrogen atoms, protons, two ions (atoms) donors discussed. Moreover, applied evaluate redox properties, judge or reveal possible models.

Language: Английский

Intracellular Photocatalytic NADH/NAD(P)H Oxidation for Cancer Drug Development DOI
Ashish Yadav, Samya Banerjee,

Arif Ali Mandal

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: 147(9), P. 7161 - 7181

Published: Feb. 20, 2025

Photocatalytic cancer therapy (PCT) has emerged as a cutting-edge anticancer mechanism of action, harnessing light energy to mediate the catalytic oxidation intracellular substrates. PCT is significant current importance due its potential address limitations conventional chemotherapy, particularly drug resistance and side effects. This approach offers noninvasive, targeted treatment option by utilizing metal-based photocatalysts induce redox metabolic disorders within cells. The disrupt cell metabolism converting NADH/NAD(P)H NAD+/NAD(P)+ via photoredox processes, altering NAD+/NADH or NAD(P)+/NAD(P)H ratios, which are crucial for cellular metabolism. Ir(III), Ru(II), Re(I), Os(II) demonstrated promising efficacy. Despite these developments, gaps remain in literature translating this new into clinical trials. Perspective critically examines developments research area provides future directions designing efficient PCT.

Language: Английский

Citations

0
Peptide bridging for cofactor channeling in fusion enzyme lowers cofactor input by two orders of magnitude DOI

Zehui Guo,

Yan Sun

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION), Journal Year: 2025, Volume and Issue: 71, P. 390 - 403

Published: April 1, 2025

Language: Английский

Citations

0
Establishing the Thermodynamic Cards of Dipine Models’ Oxidative Metabolism on 21 Potential Elementary Steps DOI Creative Commons
Guang‐Bin Shen,

Shun-Hang Gao,

Yanwei Jia

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(15), P. 3706 - 3706

Published: Aug. 5, 2024

Dipines are a type of important antihypertensive drug as L-calcium channel blockers, whose core skeleton is the 1,4-dihydropyridine structure. Since dihydropyridine ring key structural factor for biological activity, thermodynamics aromatization significant feature parameter understanding mechanism and pathways dipine metabolism in vivo. Herein, 4-substituted-phenyl-2,6-dimethyl-3,5-diethyl-formate-1,4-dihydropyridines refined structurally closest models to investigate thermodynamic potential oxidative metabolism. In this work, cards models' on 21 elementary steps acetonitrile have been established. Based cards, properties related intermediates acting electrons, hydrides, hydrogen atoms, protons, two ions (atoms) donors discussed. Moreover, applied evaluate redox properties, judge or reveal possible models.

Language: Английский

Citations

1