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1.
Selami Ercan Ercan Çınar Cihat Özaydın Nuriye Efe Ertürk Reşit Çakmak 《Journal of heterocyclic chemistry》2020,57(7):2875-2888
Designing new inhibitors having less side effects is a need which also could reduce cholesterol levels. To fulfill this aim, we have carried out a molecular docking study toward 3-hydroxy-3-methyl-glutaryl-CoA (HMG-CoA) reductase. A set of designed structural derivatives of statin drugs, eight ligands which are used as HIV-1 integrase inhibitor candidates, a set of terpenoids, and ligands downloaded from Zinc15 database were docked to HMG-CoA reductase enzyme which contains atorvastatin in crystal structure. The analysis of docking studies revealed that statin derivative ligands are more appropriate for inhibition of HMG-CoA reductase. To define the contribution of the molecular properties to the binding of ligands to enzyme structure; the highest occupied molecular orbitals-lowest unoccupied molecular orbitals, hardness, electronegativity, and chemical potential properties of ligands have best score in their sets calculated by quantum mechanical tools. 相似文献
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Bahittin Kahveci Musa Özil Selami ?a?maz Yavuz Köysal 《Journal of organometallic chemistry》2007,692(22):4835-4842
New metal-free and metal (Zn, Ni, Cu and Co) phthalocyanines containing 4-(p-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one moiety have been prepared from 1-(3,4-dicyanophenyl)-4-(p-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one by both conventional and microwave-assisted methods. All of these compounds are soluble in CHCl3, DMF and DMSO. The new compounds have been characterized by elemental analysis, IR, NMR, UV-Vis spectroscopies. The crystal structures of compounds I and II were also determined by the single crystal diffraction technique. 相似文献
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Nazan Ocak Ískeleli amil Ik Kemal Sancak Selami amaz Yasemin Ünver Mustafa Er 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o363-o365
The title compounds, C12H20N6O2, (I), and C5H9N3O2, (II), display the characteristic features of 1,2,4‐triazole derivatives. Compound (I) lies about an inversion centre which is at the mid‐point of the central C—C bond. Compound (II) also contains a planar 1,2,4‐triazole ring but differs from (I) in that it has a hydroxy group attached to the ring. Molecules of (I) are held together in the crystal structure by intermolecular N—H⋯O contacts and by weak π–π stacking interactions between the 1,2,4‐triazole moieties. Compound (II) contains intermolecular O—H⋯O and N—H⋯O hydrogen bonds. 相似文献
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Ayşegül Doğan Selami Demirci Ali Özhan Aytekin Fikrettin Şahin 《Applied biochemistry and biotechnology》2014,174(1):28-42
Saccharomyces cerevisiae, industrial yeast isolate, has been of great interest in recent years for fuel ethanol production. The ethanol yield and productivity depend on many inhibitory factors during the fermentation process such as temperature, ethanol, compounds released as the result of pretreatment procedures, and osmotic stress. An ideal strain should be able to grow under different stress conditions occurred at different fermentation steps. Development of tolerant yeast strains can be achieved by reprogramming pathways supporting the ethanol metabolism by regulating the energy balance and detoxicification processes. Complex gene interactions should be solved for an in-depth comprehension of the yeast stress tolerance mechanism. Genetic engineering as a powerful biotechnological tool is required to design new strategies for increasing the ethanol fermentation performance. Upregulation of stress tolerance genes by recombinant DNA technology can be a useful approach to overcome inhibitory situations. This review presents the application of several genetic engineering strategies to increase ethanol yield under different stress conditions including inhibitor tolerance, ethanol tolerance, thermotolerance, and osmotolerance. 相似文献
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Ülkü Yılmaz Hasan Küçükbay Nihat Şireci Mehmet Akkurt Selami Günal Rıza Durmaz M. Nawaz Tahir 《应用有机金属化学》2011,25(5):366-373
A mixture of benzimidazole salts (2–7), Pd(OAc)2 and K2CO3 in DMF–H2O catalyzes the Suzuki–Miyaura cross‐coupling reactions promoted by microwave irradiation resulting in high yield within a short time. In particular, the yield of the Suzuki–Miyaura reactions with aryl bromides was found to be nearly quantitative. The synthesized benzimidazole salts (2–7) were identified by 1H‐13C, NMR, IR spectroscopic methods and microanalysis. The molecular structure of 1 was determined by X‐ray crystallography. The antibacterial and antifungal activities of the novel benzimidazole derivatives (1–7) were also tested against standard strains. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
7.
Sema Özturk Şamil Işik Erbil Aguar Selami Şalsmaz H. K. Fun Ahmet Erdönmez 《光谱学快报》2013,46(2):245-254
Abstract The crystal structure of the title compound, C41 H35 N7 O6 S3 was determined as monoclinic by single crystal X-Ray diffraction technique. The molecular structure was identified by IR, 1H-NMR, 13C-NMR and elemental analysis. The crystal parameters of this compound are as follows: monoclinic P 2 1/n, a = 12.694(2) Å, b = 26.204(2) Å, c = 13.005(2) Å, β = 102.95(2)°, V = 4216.02(1) Å.3, Z = 4, Dx = 1.289 g/cm3, F(000) = 1704, λ (MoKα) = 0.71070 Å, μ = 0.2 mm?1. The structure was solved by SHELXS-97 and refined by SHELXL-97. R = 0.06 for 3178 observed reflections with I > 2σ (I). 相似文献
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Onur ahin Orhan Büyükgüngr Selami amaz Nurhan Gümrüküolu Cihan Kantar 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o431-o433
The title compound, C6H12N4, has four crystallographically independent molecules in the asymmetric unit. Intermolecular N—H...N hydrogen bonds involving amino groups and triazole N atoms form a three‐dimensional framework involving R44(10) and R44(20) rings. The hydrogen bonding is supported by weak C—H...π interactions. 相似文献
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Al-Bustany Hazem Abbas Ercan Selami Ince Ebru Pirinccioglu Necmettin 《Molecular diversity》2022,26(1):293-308
Molecular Diversity - The emerged Coronavirus disease (COVID-19) causes severe or even fatal respiratory tract infection, and to date there is no FDA-approved therapeutics or effective treatment... 相似文献
10.
Onur ahin Orhan Büyükgüngr Selami amaz Nurhan Gümrüküolu Cihan Kantar 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o643-o646
The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), molecules are linked principally by N—H⋯N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R44(20) and R24(10) rings which link to give a three‐dimensional network of molecules. The hydrogen bonding is supported by two different C—H⋯π interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C—H⋯π interactions produce R34(15) and R44(21) rings. 相似文献