Kemal_YelekciProf. Kemal YELEKÇİ

Kadir Has University, Bioinformatics and Genetics Department Head


Contact:

Phone:      +90 212 533 6532 / 1332
e-mail:      yelekci@khas.edu.tr


Education:

ODTU Undergrad: METU – Department of Chemistry (1979)
cukurova Master’s: Çukurova University – Department of Organic Chemistry (1981)
ohio PhD: University of Ohio – Department of Organic Chemistry(1987)
Supervisor: Prof. W. Duane Huntsman, deceased

Academic Experience:

northwestern Post doc: Northwestern University – Department of Medicinal Chemistry (1987-1988)
Advisor: Prof. Richard. B. Silverman
ege Asst. Prof & Assoc. Prof: Ege University – Department of Chemistry (1988-1989)
marmara Assoc. Prof.
& Prof.:
Marmara University – Department of Chemistry (1990 – 2001)
kadir has Prof.: Kadir Has University– Department of Bioinformatics and Genetics (2001-halen)

Awards:

*    The academic award of 2014. (Given by Kadir Has University to the academic staff whose achievement in research and teaching  are commendable)
*    Novartis Award for Drug Design, Turkey (2008)

*    Kadir Has University, Award of Education and Research (5 kez)
*    DAAD Scholarship (For German education at Goethe Institute)
*    Fulbright Scholarship (For PhD education at Ohio University)


Courses offered:

Undergraduate:

1.     General Chemistry
2.     Organic Chemistry
3.     Introduction to Spectroscpy

Graduate:

1.     Introduction to Bioinformatics
2.     Organic Chemistry of Drug Design and Drug Action
3.     Special Topics in Medicinal Chemistry
4.     Introduction to Nuclear Magnetic Resonance (NMR)

Former Lectures:
Essential Cell Biology (Grad)

The Organic Chemistry of Drug Design and Drug Action (Grad)
Business Mathematics (Undergrad)
History of Science (Undergrad)


Membership:

*   Turkish Chemical Society
*   American Chemical Society (ACS)
*   METU İstanbul Grads’ Association


Administrative Duties

*   Kadir Has University,  Department Head of Bioinformatics and Genetics (2008 – now)
*   Kadir Has University, Chair of Science Institute (2004-2006)
*   Kadir Has University, Dean of Faculty of Science and Letters (2001-2006)
*   Kadir Has University, Vice Rector   (2001-2003)
*   Marmara University, Dean of Faculty of Science and Letters (1998-2001)
*   Marmara University, Department Head of Organic Chemistry (1994-2000)
*   Marmara University, Department Head of Chemistry (1988-2000)
*   Marmara University, Department co-head of Chemistry (1994-1998)
*   Marmara University, Vice Dean (1991-1992)
*   Ege University, Department co-head of Chemistry (1988-1989)


Research

Research and development involving  studies of  enzymatic reaction, receptor ligand interaction and transporter protein mechanisms. Calculation of free energy profile, elucidation of the flexibility and dynamical behavior of the protein-substrate complex are  some of the major goals. To these aims our research group exploits computational techniques such as classical molecular dynamics (MD) simulations, quantum mechanics (QM) and docking methods to investigate the structure, kinetics and thermodynamics of biological molecules, especially enzyme-ligand complexes. Applications of drug design tools  to case studies are of special interest.


Past and Current Projects:

tubitak TÜBİTAK-1003. 2015S009  “Development of Novel Synthetic Agents for Prostate Cancer Treatment.” Researcher. Budget: 2,817,996 TL (2016-2020)
cost COST Action. (CM1406) “Epigenetic Chemical Biology (EPICHEM)”. Researcher. Budget: ~650,000 Euro (2015-2018)
7th framework FP7. Marie Curie Initial Training Networks (ITN). Call: FP7-PEOPLE-2013-ITN. Project ID: 608381. “Training in Neurodegeneration, Therapeutics Intervention & Neurorepair – TINTIN”. Researcher. Budget: 3,817,235 Euro (2013-2017)
itam İSTKA. “Establishment of Networking between Academia and Drug Companies and organization of a new Technology Center for a novel drug discovery, development and knowledge sharing- İlaç Temel Araştırma Merkezi – İTAM”. ResearcherBudget: 1,788,000 TL  (2012-2013)
cost COST Action CM1103. “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain”. ResearcherBudget: 550,000 Euro (2011-2015)
tubitak TÜBİTAK-TBAG 211T100. “In Silico Design of Selective Neuronal Nitric Oxide Synthase (nNOS) Inhibitors in Order to Prevent Neurodegenerative Diseases”. Project Director. Budget: 19,350 TL (2012-2013)
tubitak TÜBİTAK 1007 (105G01) . “Drug research and development for hereditary diseases caused by erroneous RNA splicing”. Researcher. Budget: 1,577,827 TL (2006-2009)
6th framework FP6-MOBILITY. “Characterisation of Mitochondrial Proteins in Brain”. Researcher. Budget: 1,199,583 Euro (2006-2010)
tubitak TÜBİTAK-TBAG 108T232 “Design of new pyrazoline derivatives using molecular modelling; synthesis and determination of their inhibition kinetics by computational and experimental techniques”. Project Director. Budget: 298,000 TL (2008-2010)
tubitak TÜBİTAK-TBAG 1332 194T033 “Ekmek Mayası (Saccharomyces Cerevisiae) Yardımı ile L-3,4-Dihidroksifenil Alanin (L-Dopa) için Yeni Bir Sentez Yöntemi”. Project Director(2000-2004)
tubitak TÜBİTAK-TBAG 520 “Melia Azedarach L. (Tesbih ağacı) Meyvelerinin Özütlerinden İzole Edilen Etkin Maddeler ve Pamuk Zararlıları Üzerine Etkileri”. Researcher. (1983-1986)

 


Recent Publications:

  1. Katarina Nikolic, Lazaros Mavridis, Teodora Djikic, Jelica Vucicevic, Danica Agbaba, KemalYelekci andJohnB.O.Mitchell. “Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies”  http://dx.doi.org/10.3389/fnins.2016.00265. Front. Neurosci., 10 June 2016
  2. Evranos-Aksöz B, Baysal İ, Yabanoğlu-Çiftçi S, Djikic T, Yelekçi K, Uçar G, Ertan R. “Synthesis and Screening of Human Monoamine Oxidase-A Inhibitor Effect of New 2-Pyrazoline and Hydrazone Derivatives.“. Arch Pharm (Weinheim). 2015 Oct;348(10):743-56. doi: 10.1002/ardp.201500212. Epub 2015 Aug 21. (2015)
  3. F. Pinar Turkmenoglu, İpek Baysal, Samiye Ciftci-Yabanoglu, Kemal Yelekci,  Hamdi Temel, Salih Paşa, Nurten Ezer, İhsan Çalış and Gulberk Ucar., “Flavonoids from Sideritis Species: Human Monoamine Oxidase (hMAO) Inhibitory Activities, Molecular Docking Studies and Crystal Structure of Xanthomicrol.” Molecules Journal, 2015 Apr 23;20(5):7454-73. doi: 10.3390/molecules20057454. (2015)
  4. Kemal Yelekci, Bahanur Örtmen., “De Novo Design of Potent and Selective Neuronal Nitric Oxide Synthase (nNOS) Inhibitors by a Fragment-Based Approach“, Journal of Pharmaceutical Chemistry, ISSN: 2349-5731 (2015)
  5. Malcomson T, Yelekci K, Mar Borrello MT, Ganesan A, Semina E, De Kimpe R, Mangelinckx S, Ramsay RR.,  “cis-Cyclopropylamines as mechanism-based inhibitors of Monoamine Oxidases”,  FEBS Journal, DOI: 10.1111/febs.13260, (2015).
  6. Evranos-Aksöz B, Yabanoğlu-Çiftçi S, Uçar G, Yelekçi K, Ertan R. “Synthesis of some novel hydrazone and 2-pyrazoline derivatives: Monoamine oxidase inhibitory activities and docking studies.” Bioorg Med Chem Lett. 2014. 1;24(15):3278-84. (DOI: 10.1016/j.bmcl.2014.06.015) (2014)
  7. Kemal Yelekçi, Bora Büyüktürk, Nurdan Kayrak, “In silico identification of novel and selective monoamine oxidase B inhibitors”. J Neural Transm 2013. 120:853–858, (DOI 10.1007/s00702-012-0954-0) (2013)
  8. Umut Salgın-Gökşen, Nesrin Gökhan-Kelekçi, Samiye Yabanoğlu-Çiftçi, Kemal Yelekçi, Gülberk Uçar, “Synthesis, molecular modeling, and in vitro screening of monoamine oxidase inhibitory activities of some novel hydrazone derivatives”. J Neural Transm . 2013. 120:883–891, (DOI 10.1007/s00702-013-0968-2) (2013)
  9. Umut Salgın-Gökşen, Samiye Yabanoğlu-Çiftçi, Ayşe Ercan, Kemal Yelekçi, Gülberk Uçar, Nesrin Gökhan-Kelekçi, “Evaluation of selective human MAO inhibitory activities of some novel pyrazoline derivatives”. J Neural Transm, 2013. 120:863–873, (DOI 10.1007/s00702-013-0980-6). (2013)
  10. Safiye Sağ Erdem, Seyhan Türkkan, Kemal Yelekçi, Nesrin Gökhan-Kelekçi, “Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations”. J Neural Transm, 2013. 120:859–862,   (DOI 10.1007/s00702-012-0950-4) (2013).
  11. Gamze Bora Tatar, Tenzile Deniz Tokluman, Kemal Yelekçi, Hayat Yurter,“Power of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor design”. Turk J Chem, 35 . 2011. 861 – 870. (doi:10.3906/kim-1107-34) (2011).
  12. Ebru Demet Akdoğan, Burak Erman, Kemal Yelekçi. “In silico design of novel and highly selective lysine-specific histone demethylase inhibitors”. Turk J Chem 35. 2011. 523-542, (doi:10.3906/kim-1102-985) (2011).
  13. Nesrin Gökhan-Kelekçi, Ö. Özgün Şimşek, Ayşe Ercan, Kemal Yelekçi, Z. Sibel Şahin Şamil Işık, Gülberk Uçar, A. Altan Bilgin. “Synthesis and molecular modeling of some novel hexahydroindazole derivatives as “potent monoamine oxidase inhibitors”. Bioorganic & Medicinal Chemistry. 2009, 17(4), 5219-5228. (2009)
  14. Gamze Bora-Tatar, Didem Dayangaç-Erden, Ayhan S. Demir, Sevim Dalkar, Kemal Yelekçi, Hayat Erdem-Yurter, “Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies”. Bioorganic & Medicinal Chemistry. 2009. 17(18), 6761-6772. (2009)
  15. Didem Dayangaç-Erden, Gamze Bora, Peruze Ayhan, Çetin Kocaefe, Sevim Dalkara, Kemal Yelekçi, Ayhan S. Demir, Hayat Erdem-Yurter, “Histone Deacetylase Inhibition Activity and Molecular Docking of (E )-Resveratrol: its Therapeutic Potential in Spinal Muscular Atrophy”. Chemical Biology & Drug Design. 2009, 37(3), 355-364. (2009).
  16. Nesrin Gökhan-Kelekçi, Semra Koyunoğlu, Samiye Yabanoğlu, Kemal Yelekçi, Özen Özgen, Gulberk Uçar, Kevser Erol, Engin Kendi, Akgul Yeşilada,”New Pyrazoline Bearing 4(3H)-quinazolinone Inhibitors of Monoamine Oxidase: Synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity“. Bioorganic & MedicinalChemistry. 2009. 17(2), 675-689. (2009)
  17. Kemal Yelekçi, Özlem Karahan, Mustafa Toprakçı “Docking of novel reversible monoamine oxidase-B inhibitors: efficient prediction of ligand binding sites and estimation of inhibitors thermodynamic properties (ΔG and Ki)”. Journal of Neural Transmission, 2007.114: 725-732. (2007)
  18. kapak

Safiye Sağ Erdem, Ö zlem Karahan, İbrahim Yıldız and Kemal Yelekçi .“A computational study on the amine-oxidation mechanism of monoamine oxidase: Insight into the polar nucleophilic mechanism”. Organic & Biomolecular Chemistry, 2006, 4, 646-658. (2006). ( This article was the cover of a journal of “The Royal Soceity of Chemistry”.)

  1. Mustafa Toprakçı, Kemal Yelekçi. “Docking studies on Monoamine Oxidase-B inhibitors: estimation of inhibition constants (Ki) of   a series of experimentally tested compounds”. Bioorganic & Medicinal Chemistry Letters, 15. 2005. 4438-4446. (2005)
  2. K. Yelekçi; R.B. Silverman “Effect of the Locus of the Oxygen Atom in Amino Ethers on The Inactivation of Monoamine Oxidase B”. J. Enzyme Inhibition. 1998, 13, 31-39. (1998)
  3. V.J. Drose; J.C.G. Woo; W.P.Hawe; B.M. Hoffman; R:B: Silverman; K. Yelekçi “Observation of a Flavin Semiquinone in the Resting Staate of Monoamine Oxidase by Electron Paramagnetic resonance and Electron Nucleer Double Resonance”. Biochemistry 1996, 35, 11085-11091. (1996)

Theses Supervised:

  1. Bahanur Örtmen. Master’s Thesis. “In silico screening of neuronal nitric oxide synthase enzyme inhibitors”. (2014)
  2. Dilara Karaman. Master’s Thesis. “In silico design and modeling of coumarin derivatives as selective monoamine oxidase A inhibitors”. (2014).
  3. Tuğba Mehmetoğu. Master’s Thesis. “In silico design of novel and highly selective cyclooxygenase-2 inhibitors”. (2014)
  4. Talha Karabıyık. Master’s Thesis. “In silico identification of physiological substrates and inhibitors of serum paraoxonase I enzyme”. (2014)
  5. Nurdan Kayrak. Master’s Thesis. “nNOS selective inhibitor identification using de novo design methods”. (2013)
  6. Bora Büyüktürk. Master’s Thesis. “Exploration of binding sites of nNOS isozymes to design selective neuronal nitric oxide synthase inhibitors”. (2013)
  7. Serkan Altuntaş. Master’s Thesis. “In silico screening of monoamine oxidase A and B inhibitors using indane ring as a scaffolds”. (2013)
  8. Çağla Mıdık. Master’s Thesis. “Monoamin oksidaz A ve B (MAO-A, MAO-B) enzimlerine ihnibitör olarak 1-tiocarbomoyil, 3-fenil, 5-furfuril, 2-pirazolin iskeleti kullanılarak daha aktif türevlerinin moleküler modelleme yöntemiyle tasarlanması”. (2012)
  9. Filiz Varnalı. Master’s Thesis. “Monoamin oksidaz A ve B (MAO-A, MAO-B) enzimlerine inhibitör olarak 1-benzoksazilidinone-3,5-difenil-2-pirazolin iskeleti kullanılarak türevlerinin moleküler modelleme yöntemiyle tasarlanması”. (2012)
  10. Erçin Dinçer. Master’s Thesis. “Tüberküloz (Mycobacterium Tuberculosis) bakterisinin LAM 7 suşunun rpoB geninin kodladığı rifambisin hedefini oluşturan proteinin homology modellenmesi ve mutasyona uğramış LAM 7 suşlarında oluşan dirence karşı yeni ilaç tasarımı”. (2012)
  11. Seyhan Türkkan. Master’s Thesis. “Monoamin A ve Monoamin B enzimlerinine İnhibitör Tasarımı”. (2012)
  12. Özlem Karahan. Master’s Thesis. “Monoamin oksidaz (MAO) enziminin aminleri oksitleme mekanizmasının hesapsal yöntemlerle incelenmesi”. (2004)
  13. İbrahim Yıldız. Master’s Thesis. “Mono amin oksidaz (MAO) enziminin ekleme eliminasyon mekanizmasının hesapsal yöntemlerle incelenmesi”. (2003)
  14. Gül Altınbaş. Master’s Thesis. “Benzen ve toluenin değişik substratlarla Friedel Crafts açilasyon reaksiyonlarının incelenmesi”. (2001)
  15. Dilber Damar. Master’s Thesis. “Etil 2-nitro-3-hidroksi-3-(3,4-dimetoksifenil) propanoat’ın sentezi”. (2001)
  16. Sevim Karataş. PhD Thesis. “Etil alfa-halo-3,4-disübstitüesinnamat ile alfa-açilamino-3,4-disübstitüe sinnamik asit bileşiklerinin sentezi ve Pd/C ile indirgenme ürünleri”. (2001)
  17. Memet Vezir Kahraman. PhD Thesis. “Biyolojik aktif amino eter sentezleri”. (2001)
  18. Memet Vezir Kahraman. Master’s Thesis. “α-(2-aminometil)-N-fenilnitron sentezi”. (1995)