Journal ArticleDOI
Molecular docking, geometrical structure, potentiometric and thermodynamic studies of moxifloxacin and its metal complexes
TLDR
Molecular docking was used to predict the binding between moxifloxacin (H2L) and the receptors of breast cancer mutant, prostate cancer mutant and crystal structure E. coli and S. aureus and it was found that the mox iflOxacin shows best interaction with 3hb5 receptor other than receptors.About:
This article is published in Journal of Molecular Liquids.The article was published on 2016-08-01. It has received 68 citations till now. The article focuses on the topics: Dissociation constant.read more
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Synthesis, characterization, theoretical study and biological activity of Schiff base nanomaterial analogues
TL;DR: In this paper, a Schiff base ligand and its complexes have been synthesized for antimicrobial activities against bacterial species and fungi using different physicochemical techniques and infrared spectral data showed that the chelation occurs through the deprotonated phenolic oxygen and azomethine nitrogen atoms of the ligand.
Journal ArticleDOI
Aroylthiourea derivatives of ciprofloxacin drug as DNA binder: Theoretical, spectroscopic and electrochemical studies along with cytotoxicity assessment.
Shahid Iqbal Farooqi,Nasima Arshad,Fouzia Perveen,Pervaiz Ali Channar,Aamer Saeed,Aneela Javed +5 more
TL;DR: Findings by using DFT, molecular docking, spectroscopic (UV, fluorescence; FL-), cyclic voltammetric (CV) and viscometric techniques revealed that these compounds have the potency to bind with DNA via a mixed mode of interaction.
Journal ArticleDOI
Synthesis, characterization, and biological investigation of new mixed‐ligand complexes
Basma H. Amin,Mohamed I. Abou-Dobara,Mostafa A. Diab,E.A. Gomaa,M.A. El-Mogazy,Adel Z. El-Sonbati,Mohamed S. EL-Ghareib,Mostafa A. Hussien,Hanaa M. Salama +8 more
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Effect of γ-radiation on the structural and optical properties of poly(3-allyl-5-[(4-nitrophenyl)diazenyl]-2-thioxothiazolidine-4-one) thin films
TL;DR: In this paper, the effect of γ-irradiation on the structural and optical properties of 3-allyl-5-[(4-nitro phenyl)diazenyl]-2-thioxothiazolidine-4-one (NPDT) powder and PNPDTs was investigated.
Journal ArticleDOI
Synthesis, structural, spectroscopic and biological studies of Schiff base complexes
TL;DR: Schiff base ligand 4-((pyridin-2- yl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (PDMP) and its complexes were prepared and characterized on the basis of elemental analysis, IR, mass spectra and thermogravimetric analysis as mentioned in this paper.
References
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Journal ArticleDOI
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
Garrett M. Morris,David S. Goodsell,Robert Scott Halliday,Ruth Huey,William E. Hart,Richard K. Belew,Arthur J. Olson +6 more
TL;DR: It is shown that both the traditional and Lamarckian genetic algorithms can handle ligands with more degrees of freedom than the simulated annealing method used in earlier versions of AUTODOCK, and that the Lamarckia genetic algorithm is the most efficient, reliable, and successful of the three.
Journal ArticleDOI
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
TL;DR: The first published version of the Merck molecular force field (MMFF) is MMFF94 as mentioned in this paper, which is based on the OPLS force field and has been applied to condensed-phase processes.
Book
Vogel's textbook of quantitative chemical analysis
TL;DR: In this paper, the principles of reaction in solution are discussed and the basis of separarative methods are discussed, as well as the safety units of Reagent Purity and Reagent Reactions in Solution.
Determination of pH: theory and practice.
TL;DR: In this article, a book to wait for in this month is given, and even if you have wanted for long time for releasing this book determination of ph theory and practice; you may not be able to get in some stress.
Journal ArticleDOI
DNA gyrase, topoisomerase IV, and the 4-quinolones.
Karl Drlica,Xilin Zhao +1 more
TL;DR: Quinolone-topoisomerase biology is providing a model for understanding aspects of host-parasite interactions and providing ways to investigate manipulation of the bacterial chromosome by topoisomerases.