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In SilicoHypothesisHighlighted

Theoretical evaluation of the biological activity of hydrogen

MHID-3775261PMID: 398291632025Medical Gas Research

Grace Russell

Hydrogen (H2), the simplest and most ubiquitous molecule in the universe, has garnered significant scientific interest over the past two decades because of its potential as an effective antioxidant and anti-inflammatory agent. Traditionally considered inert, H2 is now being re-evaluated for its unique bioactive properties. H2 selectively neutralizes reactive oxygen and nitrogen species, mitigating

In SilicoHighlighted

Molecular Hydrogen as an Antioxidant and Radioprotector: Mechanistic Insights from Monte Carlo Radiation-Chemical Simulations

MHID-6447318PMID: 410089612025Antioxidants

Sumaiya Akhter Ria, Jintana Meesungnoen, Jean-Paul Jay-Gerin

(1) Background: Water, comprising about 70–80% of cellular mass, is the most abundant constituent of living cells. Upon exposure to ionizing radiation, water undergoes radiolysis, generating a variety of reactive species, including free radicals and molecular products. Among these, hydroxyl radicals (•OH) are particularly damaging due to their very high reactivity and their capacity to induce oxid

In SilicoHighlighted

First-principles study of molecular hydrogen binding to heme in competition with O2, NO and CO

MHID-7592026PMID: 387844102024RSC Advances

Yun-Kyong Ri, Song-Ae Kim, Yun-Hyok Kye, Yu-Chol Jong, Myong-Su Kang, Chol-Jun Yu

Molecular hydrogen shows antioxidant activity and distinct efficacy towards vascular diseases, but the understanding of this is not yet satisfactory at the atomic level. In this work, we study the binding properties of H2 to the heme group in relation with other diatomic molecules (DMs), including O2, NO and CO, and their displacement reactions, using first-principles calculations. We carry out molec

In SilicoHighlighted

Investigation of hydrogenase enzymes and the presence of orthologs in the human proteome

MHID-17877222024Microbes and Immunity

Grace Russell

Hydrogenase enzymes catalyze the reversible oxidation/reduction of hydrogen (H2) and play a crucial role in microbial energy metabolism, with significant implications for human immunity. H2, produced by gut microbes during fermentation or administered exogenously, is vital in modulating oxidative stress and inflammation. In the gastrointestinal tract, microbial H2 production can reach up to 13 L/d

In SilicoHighlighted

Antioxidation activity of molecular hydrogen via protoheme catalysis in vivo: an insight from ab initio calculations

MHID-4619667PMID: 360570012022Journal of Molecular Modeling

Song‑Ae Kim, Yu‑Chol Jong, Myong‑Su Kang, Chol‑Jun Yu

Recently, molecular hydrogen has been found to exhibit antioxidation activity through many clinical experiments, but the mechanism has not been fully understandable at atomic level. In this work, we perform systematic ab initio calculations of protoheme-hydrogen complexes to clarify the antioxidation mechanism of molecular hydrogen. We make molecular modeling of iron–protoporphyrin coordinated by

In VitroIn SilicoHighlighted

Quantification of hydrogen production by intestinal bacteria that are specifically dysregulated in Parkinson’s disease

MHID-67149392018PLoS ONE

Anzu Suzuki, Mikako Ito, Tomonori Hamaguchi, Hiroshi Mori, Yuka Takeda, Ryuko Baba, et al.

Oral administration of hydrogen water ameliorates Parkinson’s disease (PD) in rats, mice, and humans. We previously reported that the number of putative hydrogen-producing bacte- ria in intestinal microbiota is low in PD compared to controls. We also reported that the amount of hydrogen produced by ingestion of lactulose is low in PD patients. The decreased hydrogen production by intestinal microb

Animal StudyIn SilicoHighlighted

Molecular hydrogen upregulates heat shock response and collagen biosynthesis, and downregulates cell cycles - Meta-analyses of gene expression profiles -

MHID-9900832PMID: 294242532018

Hiroshi Nishiwaki, Mikako Ito, Shuto Negishi, Sayaka Sobue, Masatoshi Ichihara, Kinji Ohno

Background: Molecular hydrogen exerts its effect on multiple pathologies, including oxidative stress, inflammation, and apoptosis. However, its molecular mechanisms have not been fully elucidated. In order to explore the effects of molecular hydrogen, we meta-analyzed gene expression profiles modulated by molecular hydrogen. Methods: We performed microarray analysis of the mouse liver with or wit