4.4 Article

Multitarget Mechanisms of 5-hydroxy Ferulic Acid for Cancer Prevention: A Computational Chemistry Study

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Tautomerism and antioxidant power of sulfur-benzo[h]quinoline: DFT and molecular docking studies

Pham Cam Nam et al.

Summary: In this study, a quantum chemical investigation was conducted to explore the antiradical activity of sulfur-benzo[h]quinolone in physiological environments. The results showed that sulfur-benzo[h]quinolone exhibits solvent-dependent tautomerism and possesses higher antioxidant activity compared to reference antioxidants. Additionally, it was found to be a potential inhibitor of several enzymes.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Multidisciplinary

Insights into antiradical mechanism and pro-oxidant enzyme inhibitor activity of walterolactone A/B 6-O-gallate-β-D-pyranoglucoside originating from Euonymus laxiflorus Champ. using in silico study

Phan Tu Quy et al.

Summary: The study investigated the in silico ability of a new compound called Wal to act as a hydroperoxyl radical scavenger and pro-oxidant enzyme inhibitor. The results showed that the main antioxidant mechanism of Wal is the formal hydrogen transfer from the OH group. In addition, Wal has greater scavenging activity against the HOO center dot radical compared to the reference antioxidant Trolox, and it can inhibit the activity of various enzyme families.

RSC ADVANCES (2022)

Article Multidisciplinary Sciences

Ferulic acid as anticarcinogenic agent against 1,2-dimethylhydrazine induced colon cancer in rats

Ahmed S. Alazzouni et al.

Summary: The study assessed the therapeutic effect of ferulic acid on colon cancer, showing its ability to inhibit proliferation and promote apoptosis.

JOURNAL OF KING SAUD UNIVERSITY SCIENCE (2021)

Editorial Material Biochemistry & Molecular Biology

Computational Approaches for the Discovery and Development of Pharmacologically Active Natural Products

Jose L. Medina-Franco

BIOMOLECULES (2021)

Review Engineering, Biomedical

Biological applications of copper-containing materials

Peng Wang et al.

Summary: Copper is an essential trace element in the human body, impacting health through enzyme and protein functions. Researchers are increasingly focusing on developing novel copper-containing biomaterials with unique properties for cardiovascular protection, bone healing, and antibacterial effects. These materials also show potential in wound healing, cancer treatment, PET imaging, and radiotherapy applications.

BIOACTIVE MATERIALS (2021)

Article Chemistry, Multidisciplinary

Is natural fraxin an overlooked radical scavenger?

Pham Cam Nam et al.

Summary: The study systematically evaluated the radical scavenging activity of FX and found it to have moderate activity against various radicals in different environments. FX showed promising scavenging activity against HOO center dot in the gas phase but lower activity in physiological environments. Its antioxidant activity falls behind typical antioxidants under the studied conditions.

RSC ADVANCES (2021)

Review Agriculture, Multidisciplinary

Hydroxycinnamic acids and human health: recent advances

Vasile Coman et al.

JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE (2020)

Article Chemistry, Medicinal

In Silico Study of the Radical Scavenging Activities of Natural Indole-3-Carbinols

Quan V. Vo et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)

Review Biochemistry & Molecular Biology

Advances and Prospects of Phenolic Acids Production, Biorefinery and Analysis

Egle Valanciene et al.

BIOMOLECULES (2020)

Article Chemistry, Physical

Eyringpy: A program for computing rate constants in the gas phase and in solution

Eugenia Dzib et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)

Article Chemistry, Physical

Antioxidant Activities of Monosubstituted Indolinonic Hydroxylamines: A Thermodynamic and Kinetic Study

Quan V. Vo et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2019)

Article Chemistry, Multidisciplinary

A theoretical study on antioxidant activity of ferulic acid and its ester derivatives

Romesh Borgohain et al.

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2016)

Article Chemistry, Multidisciplinary

A theoretical antioxidant pharmacophore for natural hydroxycinnamic acids

Malgorzata Szelag et al.

OPEN CHEMISTRY (2015)

Review Toxicology

Copper: toxicological relevance and mechanisms

Lisa M. Gaetke et al.

ARCHIVES OF TOXICOLOGY (2014)

Article Chemistry, Medicinal

Ellagic Acid: An Unusually Versatile Protector against Oxidative Stress

Annia Galano et al.

CHEMICAL RESEARCH IN TOXICOLOGY (2014)

Article Chemistry, Multidisciplinary

Kinetics of Radical-Molecule Reactions in Aqueous Solution: A Benchmark Study of the Performance of Density Functional Methods

Annia Galano et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)

Article Chemistry, Physical

Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution

Manuel E. Medina et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Review Pharmacology & Pharmacy

Computational Methods in Drug Discovery

Gregory Sliwoski et al.

PHARMACOLOGICAL REVIEWS (2014)

Review Cell Biology

Oxidative stress and cancer: An overview

Venus Sosa et al.

AGEING RESEARCH REVIEWS (2013)

Article Chemistry, Physical

Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid

Alicja Urbaniak et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)

Review Agriculture, Multidisciplinary

Biosynthesis, Natural Sources, Dietary Intake, Pharmacokinetic Properties, and Biological Activities of Hydroxycinnamic Acids

Hesham R. El-Seedi et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2012)

Review Chemistry, Medicinal

Antioxidant and Antimicrobial Activities of Cinnamic Acid Derivatives

M. Sova

MINI-REVIEWS IN MEDICINAL CHEMISTRY (2012)

Article Chemistry, Physical

On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid-base equilibrium

Jorge Rafael Leon-Carmona et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Review Biochemistry & Molecular Biology

The role of computational methods in the identification of bioactive compounds

Meir Glick et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2011)

Article Chemistry, Physical

ROS Initiated Oxidation of Dopamine under Oxidative Stress Conditions in Aqueous and Lipidic Environments

Cristina Iuga et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Review Biochemistry & Molecular Biology

Reactive oxygen species in cancer

Geou-Yarh Liou et al.

FREE RADICAL RESEARCH (2010)

Article Polymer Science

Role of Chain Transfer Agents in Free Radical Polymerization Kinetics

T. Furuncuoglu et al.

MACROMOLECULES (2010)

Article Biochemistry & Molecular Biology

Toward the Design of Mutation-Resistant Enzyme Inhibitors: Further Evaluation of the Substrate Envelope Hypothesis

Visvaldas Kairys et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2009)

Article Chemistry, Physical

Computational Study of Copper(II) Complexation and Hydrolysis in Aqueous Solutions Using Mixed Cluster/Continuum Models

Vyacheslav S. Bryantsev et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

Article Chemistry, Organic

A computational study of stereospecifity in the thermal elimination reaction of menthyl benzoate in the gas phase

Ederley Velez et al.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2009)

Review Chemistry, Multidisciplinary

Density functionals with broad applicability in chemistry

Yan Zhao et al.

ACCOUNTS OF CHEMICAL RESEARCH (2008)

Article Chemistry, Physical

Symmetry numbers and chemical reaction rates

Antonio Fernandez-Ramos et al.

THEORETICAL CHEMISTRY ACCOUNTS (2007)

Article Chemistry, Organic

The mechanism of the Baeyer-Villiger rearrangement: quantum chemistry and TST study supported by experimental kinetic data

J. Raul Alvarez-Idaboy et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2007)

Review Biochemistry & Molecular Biology

Free radicals and antioxidants in normal physiological functions and human disease

Marian Valko et al.

INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY (2007)

Article Chemistry, Organic

Free radical scavenging capacity of hydroxycinnamic acids and related compounds

Eduardo Pino et al.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2006)

Article Chemistry, Physical

Estimation of electronic coupling for intermolecular electron transfer from cross-reaction data

Stephen F. Nelsen et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Review Pharmacology & Pharmacy

Future potential of thymidylate synthase inhibitors in cancer therapy

NL Lehman

EXPERT OPINION ON INVESTIGATIONAL DRUGS (2002)

Article Pharmacology & Pharmacy

The Haber-Weiss reaction and mechanisms of toxicity

JP Kehrer

TOXICOLOGY (2000)