Molecular Structure, DFT, Vibrational Spectra with Fluorescence Effect, Hirshfeld Surface, Docking Simulation and Antioxidant Activity of Thiazole Derivative

A Theoretical Study on N′-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

(2018) Muhammet Okur et al.   BRAZILIAN JOURNAL OF PHYSICS

The Novel 4-Phenyl-2-Phenoxyacetamide Thiazoles modulates the tumor hypoxia leading to the crackdown of neoangiogenesis and evoking the cell death

(2018) Yasser Hussein Eissa Mohammed et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors

(2018) Cristina Nastasă et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Synthesis, crystal structure, spectroscopic characterization, docking simulation and density functional studies of 1-(3,4-dimethoxyphenyl) -3-(4-flurophenyl)-propan-1-one

(2018) Hussien Ahmed Khamees et al.   JOURNAL OF MOLECULAR STRUCTURE

Experimental (FT-IR, Laser-Raman and NMR) and theoretical comparative study on 2-benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile, a potential bioactive agent

(2018) Lamya H. Al-Wahaibi et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Design, Synthesis, In Vitro Evaluation and Docking Studies of Pyrazole-Thiazole Hybrids as Antimicrobial and Antibiofilm Agents

(2018) Ramesh Gondru et al.   ChemistrySelect

Benzothiazole-Based-Bioconjugates with Improved Antimicrobial, Anticancer and Antioxidant Potential

(2018) Bhawana Kumari et al.   ChemistrySelect

Intermolecular interactions in molecular crystals: what’s in a name?

(2017) Alison J. Edwards et al.   FARADAY DISCUSSIONS

Biological Potential of Thiazole Derivatives of Synthetic Origin

(2017) Raghav Mishra et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

Cytotoxicity and Antioxidant Potential of Novel 2-(2-((1H-indol-5yl)methylene)-hydrazinyl)-thiazole Derivatives

(2017) Adriana Grozav et al.   MOLECULES

Intermolecular interactions in molecular crystals: what’s in a name?

(2017) Alison J. Edwards et al.   FARADAY DISCUSSIONS

Novel Thiazole Derivatives of Medicinal Potential: Synthesis and Modeling

(2017) Nour E. A. Abdel-Sattar et al.   Journal of Chemistry

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

(2017) Campbell F. Mackenzie et al.   IUCrJ

Synthesis and anticonvulsant activities of novel 2-(cyclopentylmethylene)hydrazinyl-1,3-thiazoles in mouse models of seizures

(2016) Krzysztof Z. Łączkowski et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Thiazolyl-pyrazole-biscoumarin synthesis and evaluation of their antibacterial and antioxidant activities

(2016) Nosrat O. Mahmoodi et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Theoretical and experimental analysis of the antioxidant features of diarylhydrazones

(2016) Swarada Peerannawar et al.   STRUCTURAL CHEMISTRY

Recent Advances in the Chemistry and Biology of Benzothiazoles

(2015) Rupinder K. Gill et al.   ARCHIV DER PHARMAZIE

Thiazole: A promising heterocycle for the development of potent CNS active agents

(2015) Chandra Bhushan Mishra et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Recent advances in novel heterocyclic scaffolds for the treatment of drug-resistant malaria

(2015) Sahil Kumar et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Molecular structure, vibrational and electronic properties of 4-Phenyl-3H-1,3-thiazol-2-ol using density functional theory and comparison of drug efficacy of keto and enol forms by QSAR analysis

(2014) Alok K. Sachan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Syntheses, spectral characterization, single crystal X-ray diffraction and DFT computational studies of novel thiazole derivatives

(2013) R. Anbazhagan et al.   JOURNAL OF MOLECULAR STRUCTURE

FT-IR, HF and DFT structural, vibrational analysis of 5-chloro-3-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one molecule

(2013) Erol Taşal et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Structure and DFT calculations of 2-{[3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenol

(2012) F. Güntepe et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Quantum chemical calculations, vibrational studies, HOMO–LUMO and NBO/NLMO analysis of 2-bromo-5-nitrothiazole

(2012) E. Gobinath et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Dimeric structure and hydrogen bonds in 2-N-ethylamino-5-metyl-4-nitro-pyridine studied by XRD, IR and Raman methods and DFT calculations

(2012) J. Lorenc   VIBRATIONAL SPECTROSCOPY

Computational studies of 1:2 complex between retinol propionate and β cyclodextrin

(2011) Nassima Mallem et al.   JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY

Mechanistic Study for the Facile Oxidation of Trimethoprim on a Manganese Porphyrin Incorporated Glassy Carbon Electrode

(2011) Leena Rajith et al.   Journal of Physical Chemistry C

Thiazoles: having diverse biological activities

(2011) Shiv Jee Kashyap et al.   MEDICINAL CHEMISTRY RESEARCH

FTIR, FT-Raman, FT-NMR, UV–visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole

(2011) V. Arjunan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

X-Ray diffraction and vibrational spectroscopic study of 2-chloro-N-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]-thiazol-2-yl}-acetamide

(2010) Nezihe Çalişkan et al.   CRYSTALLOGRAPHY REPORTS

Empirical and Accurate Method for the Three-Dimensional Electrostatic Potential (EM-ESP) of Biomolecules

(2010) Qi-Shi Du et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Oxidative Stress and Neurodegenerative Diseases: A Review of Upstream and Downstream Antioxidant Therapeutic Options

(2009) Bayani Uttara et al.   Current Neuropharmacology

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY