10931

834 دكتري

دكتري

شيمي معدني

اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي

1394

نوزده،148ص.: مصور

حسن حدادزاده

حسين فرخ پور

1394/10/29

محمدحسين حبيبي، علي اصغر انصافي، كاظم كرمي

شيمي

ID834 دكتري

9 9 9 پ تعيين پارامترها و نيروهاي پيوندي در برهمكنش كمپلكس 2 trans Co Pir 2 DMF با BSA به روش طيفسنجي فلوئورسانس 834 9 9 9 ت انتقال انرژي بين كمپلكس 2 trans Co Pir 2 DMF و 433 BSA 9 9 1 داكينگ مولكولي 344 9 9 1 الف داكينگ مولكولي كمپلكس 2 trans Co Pir 2 DMF با 443 DNA 9 9 1 ب داكينگ مولكولي كمپلكس 2 trans Co Pir 2 DMF با 443 BSA 9 1 كمپلكس 443 trans Cu cip 2 OH 2 2CH3OH 6H2O 9 1 4 بررسي برهمكنش كمپلكس مس II با 443 CT DNA 9 1 4 الف بررسي برهمكنش كمپلكس مس II با BSA به روش طيفسنجي الكتروني 344 9 1 4 ب بررسي برهمكنش كمپلكس مس II با BSA به روش طيفسنجي فلوئورسانس 944 9 1 4 پ تعيين پارامترها و نيروهاي پيوندي در برهمكنش كمپلكس پاالديوم II با BSA به روش طيفسنجي فلوئورسانس 944 9 1 4 ت انتقال انرژي بين كمپلكس مس II و 445 BSA 9 1 2 داكينگ مولكولي 544 9 1 2 الف داكينگ مولكولي كمپلكس مس II با 445 DNA 9 1 2 ب داكينگ مولكولي كمپلكس مس II با 446 BSA 9 1 9 محاسبات مكانيك كوانتومي 644 9 1 9 الف برهمكنش كمپلكس مس II با DNA در فاز گازي 644 9 1 9 ب برهمكنش كمپلكس مس II با DNA در فاز محلول 324 9 1 9 پ برهمكنش كمپلكس مس II با 422 BSA 9 5 كمپلكس طالي 422 AuTm I 9 5 4 بررسي پايداري AuTm با استفاده از طيفسنجي الكتروني و 422 ESI MS 9 5 2 بررسي برهمكنش كمپلكس AuTm با پروتئينها 224 9 5 2 الف بررسي برهمكنش كمپلكس AuTm با پروتئينها به روش طيفسنجي الكتروني 224 9 5 2 ب بررسي برهمكنش كمپلكس AuTm با پروتئينها به روش 422 ESI MS 9 5 9 مقايسه بين توانايي برهمكنش كمپلكس AuTm و اورانوفين با پروتئينها 924 9 5 1 اثر گلوتاتيون بر روي برهمكنش كمپلكس AuTm با پروتئينها 124 9 5 5 تعيين ثابت پيوند در برهمكنش كمپلكس AuTm و اورانوفين با پروتئينها 124 فصل چهارم نتيجهگيري و آيندهنگري 394 1 4 نتيجهگيري 394 1 2 آيندهنگري 294 مراجع 994 چكيده انگليسي 664 يازده

057 Interaction of Pd II Co II and Cu II complexes with biomolecules and their anticancer activity Interaction of aurothiomalate as an antiarthritic drug with proteins and its comparison with auranofin Farivash Darabi f darabi@ch iut ac ir September 2015 Department of Chemistry Isfahan University of Technology Isfahan 84156 83111 Isfahan Iran Degree PhD Language Farsi Supervisor Prof H Hadadzadeh hadad@cc iut ac ir Advisor Dr H Farrokhpour Department Graduate Program Coordinator Dr M Dinari Department of Chemistry Isfahan University of Technology Isfahan Iran Email hadad@cc iut ac ir Department of Chemistry Isfahan University of Technology Isfahan Iran Email h farrokh@cc iut ac irAbstractIn this thesis a bioactive derivative of terpyridine 4 OHPh tpy has been synthesized and characterized byspectroscopic methods and X ray crystallography The interaction of this ligand with DNA and BSA has beenmonitored by spectroscopic and voltammetric techniques The ligand interacts with DNA through the grooveand partial intercalation modes The molecular docking studies were performed to obtain detailed bindinginformation of 4 OHPh tpy with DNA and BSA In addition the molecular docking studies were performedto predict the inhibition ability of topoisomerase I and II by the ligand Then a new Pd II complex withterpyridine derivative ligand was prepared and fully characterized The in vitro studies show that the complexinteracts with DNA via covalent intercalation and electrostatic binding modes The complex cleavessupercoiled double stranded DNA without any external reductant added under physiological conditions Themicroenvironment and the secondary structure of BSA were also changed in the presence of the complex Thecomplex is remarkable in exhibiting cleavage of the BSA at micromolar concentrations and short incubationtime under physiological pH and temperature The complex has the potential to be exploited as a new syntheticnuclease and protease Afterwards a mononuclear Co II complex trans Co Pir 2 DMF 2 has been preparedand fully characterized The interaction of the Co II complex with DNA and BSA has been monitored usingdifferent analytical methods and molecular docking studies The results have indicated that the complex bindsto DNA by a groove mode and also a partial insertion of a Pir ligand between the base stacks of DNA Theresults have also shown a moderate binding propensity of the complex to BSA Then the in vitro studies of arare mononuclear Cu II complex trans Cu cip 2 OH 2 2CH3OH 6H2O show that the complex interactswith DNA via an intercalative binding mode The microenvironment and the secondary structure of BSA werechanged in the presence of the complex Also the molecular docking and QM MM studies were carried out toinvestigate the interaction of the complex with DNA and BSA The calculations indicate that the QM MMmethod is a more precise method than the docking method for determination of the electronic interactionenergies Finally the reactions of aurothiomalate with the small proteins vis ribonuclease A cytochrome c and lysozyme were explored through ESI MS analysis The obtained results were compared with auranofin Keywords Palladium Cobalt Copper Gold Terpyridine Piroxicam Ciprofloxacin DNA BSA Nuclease Protease Molecular Docking QM MM

حسن حدادزاده

حسين فرخ پور

محمدحسين حبيبي، علي اصغر انصافي، كاظم كرمي