4.6 Article

Density Functional Theory and Molecular Docking Investigations of the Chemical and Antibacterial Activities for 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Molecular docking identification for the efficacy of some zinc complexes with chloroquine and hydroxychloroquine against main protease of COVID-19

R. K. Hussein et al.

Summary: Recent research has shown that using Zinc complexes as add-on to Chloroquine/Hydroxychloroquine is an effective treatment for COVID-19. Molecular docking and dynamics techniques have been proven powerful in establishing therapeutic strategies, with Zn(QC)Cl2(H2O) and Zn(HQC)Cl2(H2O) identified as potential inhibitors for COVID-19 Mpro.

JOURNAL OF MOLECULAR STRUCTURE (2021)

Article Chemistry, Physical

Comparative Conformational Study of a New Terpenoid-like Chalcone

Marianna C. Silva et al.

Summary: Chalcones are an important class of flavonoids with various biological activities, and their conformational differences can affect their physical-chemical properties. The molecular packing of chalcones is stabilized by semi-classical interactions, and differences in polymorphism can impact the compound's properties and applications.

JOURNAL OF MOLECULAR STRUCTURE (2021)

Review Chemistry, Multidisciplinary

Chalcone synthesis, properties and medicinal applications: a review

Aluru Rammohan et al.

ENVIRONMENTAL CHEMISTRY LETTERS (2020)

Article Electrochemistry

Density Functional Theory Investigation of Some Pyridine Dicarboxylic Acids Derivatives as Corrosion Inhibitors

A. T. Hassan et al.

INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE (2020)

Article Chemistry, Multidisciplinary

Antimicrobial, Anti-Inflammatory and Antioxidant Activities of Polyoxygenated Chalcones

Yesseny A. Vasquez-Martinez et al.

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY (2019)

Article Chemistry, Physical

Molecular docking studies on fluoro-substituted chalcones as potential DprE1 enzyme inhibitors

Gozde Yalcin et al.

JOURNAL OF MOLECULAR STRUCTURE (2018)

Review Biochemistry & Molecular Biology

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Luis R. Domingo et al.

MOLECULES (2016)

Article Multidisciplinary Sciences

Regulation of protein-ligand binding affinity by hydrogen bond pairing

Deliang Chen et al.

SCIENCE ADVANCES (2016)

Article Biochemical Research Methods

Infrared Spectroscopic Characterization of Photoluminescent Polymer Nanocomposites

Kyle Gipson et al.

JOURNAL OF SPECTROSCOPY (2015)

Article Pharmacology & Pharmacy

Inclusion Mechanism and Heat Stability of the Complex of 4′-Hydroxychalcone and Hydroxypropyl-β-Cyclodextrin

Yancheng Guo et al.

TROPICAL JOURNAL OF PHARMACEUTICAL RESEARCH (2014)

Review Medicine, General & Internal

\ Antioxidant properties of flavonoids

Sofna D. S. Banjarnahor et al.

MEDICAL JOURNAL OF INDONESIA (2014)

Article Chemistry, Multidisciplinary

Experimental and quantum chemical studies of a novel synthetic prenylated chalcone

Jose C. Espinoza-Hicks et al.

CHEMISTRY CENTRAL JOURNAL (2013)

Article Infectious Diseases

The Staphylococcus aureus Membrane Protein SA2056 Interacts with Peptidoglycan Synthesis Enzymes

Chantal Quiblier et al.

ANTIBIOTICS-BASEL (2013)

Article Chemistry, Organic

The nucleophilicity N index in organic chemistry

Luis R. Domingo et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2011)

Article Biochemistry & Molecular Biology

A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors

Franco Chimenti et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2010)

Article Chemistry, Physical

On Koopmans' theorem in density functional theory

Takao Tsuneda et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Multidisciplinary

An ab initio simulation of the UV/Visible spectra of substituted chalcones

Yunsheng Xue et al.

CENTRAL EUROPEAN JOURNAL OF CHEMISTRY (2010)

Review Chemistry, Organic

Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions.: A theoretical study

Luis R. Domingo et al.

JOURNAL OF ORGANIC CHEMISTRY (2008)

Article Crystallography

1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one

V Parthasarathi et al.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS (2002)

Article Chemistry, Physical

OH stretching vibrations of the phenol(H2O)+1 cation

M Gerhards et al.

CHEMICAL PHYSICS LETTERS (2001)