Yelekçi, Kemal
Loading...
Profile URL
Name Variants
Kemal Y.
KEMAL YELEKÇI
Yelekci K.
Y., Kemal
Yelekçi, Kemal
Yelekci, Kemal
Yelekçi K.
Y.,Kemal
Yelekçi, KEMAL
Yelekçi,K.
Kemal YELEKÇI
YELEKÇI, Kemal
Yelekci,Kemal
Kemal, Yelekci
K. Yelekçi
YELEKÇI, KEMAL
Yelekçi, K.
Kemal Yelekçi
Yelekci,K.
Kemal, Yelekçi
Yelekçi, Kemal
Yelekçi, Kemal
KEMAL YELEKÇI
Yelekci K.
Y., Kemal
Yelekçi, Kemal
Yelekci, Kemal
Yelekçi K.
Y.,Kemal
Yelekçi, KEMAL
Yelekçi,K.
Kemal YELEKÇI
YELEKÇI, Kemal
Yelekci,Kemal
Kemal, Yelekci
K. Yelekçi
YELEKÇI, KEMAL
Yelekçi, K.
Kemal Yelekçi
Yelekci,K.
Kemal, Yelekçi
Yelekçi, Kemal
Yelekçi, Kemal
Job Title
Prof. Dr.
Email Address
Main Affiliation
Molecular Biology and Genetics
Status
Current Staff
Website
ORCID ID
Scopus Author ID
Turkish CoHE Profile ID
Google Scholar ID
WoS Researcher ID
Sustainable Development Goals
4
QUALITY EDUCATION
0
Research Products
6
CLEAN WATER AND SANITATION
0
Research Products
10
REDUCED INEQUALITIES
0
Research Products
13
CLIMATE ACTION
0
Research Products
14
LIFE BELOW WATER
0
Research Products
2
ZERO HUNGER
0
Research Products
8
DECENT WORK AND ECONOMIC GROWTH
0
Research Products
12
RESPONSIBLE CONSUMPTION AND PRODUCTION
0
Research Products
9
INDUSTRY, INNOVATION AND INFRASTRUCTURE
0
Research Products
17
PARTNERSHIPS FOR THE GOALS
1
Research Products
1
NO POVERTY
0
Research Products
11
SUSTAINABLE CITIES AND COMMUNITIES
0
Research Products
15
LIFE ON LAND
0
Research Products
3
GOOD HEALTH AND WELL-BEING
45
Research Products
7
AFFORDABLE AND CLEAN ENERGY
0
Research Products
5
GENDER EQUALITY
1
Research Products
16
PEACE, JUSTICE AND STRONG INSTITUTIONS
1
Research Products
Documents
68
Citations
1858
h-index
22
Documents
78
Citations
1645
Scholarly Output
105
Articles
64
Views / Downloads
47/0
Supervised MSc Theses
22
Supervised PhD Theses
5
WoS Citation Count
1532
Scopus Citation Count
1771
WoS h-index
21
Scopus h-index
22
Patents
0
Projects
0
WoS Citations per Publication
14.59
Scopus Citations per Publication
16.87
Open Access Source
62
Supervised Theses
27
| Journal | Count |
|---|---|
| Journal of Biomolecular Structure and Dynamics | 11 |
| Journal of Neural Transmission | 4 |
| Computational Biology and Chemistry | 4 |
| Journal of Molecular Structure | 4 |
| Archiv der Pharmazie | 3 |
Current Page: 1 / 8
Scopus Quartile Distribution
Competency Cloud
105 results
Scholarly Output Search Results
Now showing 1 - 10 of 105
Article Citation - WoS: 17Citation - Scopus: 20In Silico Design of Novel and Highly Selective Lysine-Specific Histone Demethylase Inhibitors(Scientific Technical Research Council Turkey-Tubitak, 2011) Akdoğan, Ebru Demet; Erman, Burak; Yelekçi, KemalHistone lysine-specific demethylase (LSD1) is involved in a wide range of epigenetic processes and plays important roles in gene silencing DNA transcription DNA replication DNA repair and heterochromatin formation. Its active site shows a resemblance to those of 2 homologous enzymes monamine oxidase A and B (MAO-A and MAO-B.) In the present work starting from suitable scaffolds and generating thousands of structures from them 10 potential inhibitors were obtained with structural and physicochemical properties selectively suitable for inhibiting LSD1. iLib Diverse software was used to generate the diverse structures and 3 docking tools CDOCKER GOLD and AutoDock were used to find the most probable potential inhibitor based on its binding affinity. The dispositions of the candidate molecules within the organism were checked by ADMET_PSA_2D (polar surface area) versus ADMET_AlogP98 (the logarithm of the partition coefficient between n-octanol and water) and their suitability is discussed. The LSD1 inhibition activities of the candidates were compared with the properties of trans-2-phenylcyclopropylamine (tranylcypromine) and 2-(4-methoxy-phenyl) cyclopropylamine which are the 2 known inhibitors of LSD1.Master Thesis In Silico Identification of Physiological Substrates and Inhibitors of Serum Paraoxonase 1 Enzyme(Kadir Has Üniversitesi, 2014) Karabıyık, Talha; Yelekçi, KemalParaoxonase 1 (PON1) as an important antioxidant enzyme against oxidative stress has been implicated in the pathogenesis of a number of disorders including cancer cardiovascular and several other diseases. Although there has been considerable progress in understanding the PON1 enzyme its precise physiological substrate and function still remain inconclusive. Discovery of new PON1 substrates or inhibitors will provide better understanding of PON1’s cardiovascular protective and antioxidant effects. PON1 is known to show lactonase aryl esterase and phosphotriesterase (paraoxonase) activity. PON1 having two calcium ions within its central tunnel shows six-bladed ?-propeller with each arm comprising of four ?-sheets. The structural Ca2+ is buried whereas the catalytic Ca2+ lies at the bottom of the activesite cavity. in this study metabolites of Human Metabolome Database (HMDB) version 3.0 containing over 40000 metabolites were docked against the PON1 structure (PDB iD: 3SRE) determined by Ben-David et al. in a virtual screening scenario using AutoDock 4.2 and metabolites were evaluated in terms of docking energy and docking pose. The best 2000 metabolites in terms of docking energy were inspected one by one and 97 of them were selected due to their chemical groups that the PON1 may work on. These 97 metabolites were further evaluated in terms of their docking poses and this further evaluation revealed that 10 out of 97 had the correct docking pose. These aforementioned metabolites are sorgolactone indoxyl sulfate 5- methoxyhinokinin enterolactone (-)-arctigenin epoxybergamottin pandamarilactone 32 (-)-matairesinol alectrol isoalantolactone. Except indoxyl sulfate all of them are of plant origin. it is known that PON1 activity is negatively correlated with high intake of vegetables. With this data and docking energies of metabolites of plant origin mentioned above in hand it is suggested that these metabolites of plant origin may be PON1 inhibitors. indoxyl sulfate plays roles in mechanisms of various diseases and causes oxidative stress. This metabolite also has considerably low docking energy and may also be a PON1 inhibitor. To be certain about the PON1 inhibitory potential of these mentioned 10 metabolites laboratory assays should be carried out. -- Abstract'tan.Article Citation - WoS: 8Citation - Scopus: 13In Silico Identification of Novel and Selective Monoamine Oxidase B Inhibitors(SPRINGER WIEN, 2013) Yelekçi, Kemal; Büyüktürk, Bora; Kayrak, NurdanMonoamine oxidases (MAO) A and B are flavin adenine dinucleotides containing enzymes bound to the mitochondrial outer membranes of the cells of the brain liver intestine and placenta as well as platelets. Recently selective MAO-B inhibitors have received increasing attention due to their neuroprotective properties and the multiple roles they can play in the therapy of neurodegenerative disorders. This study was based on 10 scaffolds that were selected from more than a million lead compounds in the ZINCv12 lead library for their structural and physicochemical properties which inhibit MAO-B. Utilizing ZINC and Accelrys 3.1 fragment-based libraries which contain about 400 thousand fragments we generated 200 potential candidates. GOLD LibDock and AutoDock 4.02 were used to identify the inhibition constants and their position in the active sites of both MAO isozymes. The dispositions of the candidate molecules within the organism were checked with ADMET PSA 2D (polar surface area) against ADMET AlogP98 (the logarithm of the partition coefficient between n-octanol and water). The MAO-B inhibition activities of the candidates were compared with the properties of rasagiline which is known to be a selective inhibitor of MAO-B.Article Citation - WoS: 23Citation - Scopus: 26Absolute Configuration and Biological Profile of Pyrazoline Enantiomers as Mao Inhibitory Activity(Wiley, 2019) Goksen, Umut Salgin; Sarıgül, Sevgi; Bultinck, Patrick; Herrebout, Wouter; Doğan, İlknur; Yelekçi, Kemal; Uçar, Gülberk; Kelekçi, Nesrin GökhanA new racemic pyrazoline derivative was synthesized and resolved to its enantiomers using analytic and semipreparative high-pressure liquid chromatography. The absolute configuration of both fractions was established using vibrational circular dichroism. The in vitro monoamine oxidase (MAO) inhibitory profiles were evaluated for the racemate and both enantiomers separately for the two isoforms of the enzyme. The racemic compound and both enantiomers were found to inhibit hMAO-A selectively and competitively. In particular the R enantiomer was detected as an exceptionally potent and a selective MAO-A inhibitor (K-i = 0.85 x 10(-3) +/- 0.05 x 10(-3) mu M and SI: 2.35 x 10(-5)) whereas S was determined as poorer compound than R in terms of K-i and SI (0.184 +/- 0.007 and 0.001). The selectivity of the enantiomers was explained by molecular modeling docking studies based on the PDB enzymatic models of MAO isoforms.Master Thesis Designing of Selective and Potent Inhibitors Against Histone Deacetylase Enzymes (hdac6 Ve Hdac10) Via in Silico Screening and Molecular Modeling Techniques for the Treatment of Cancer(Kadir Has Üniversitesi, 2021) Mert, Naz Mina; Yelekçi, KemalHDACs are the class of enzymes that are involved in the process of cancer development by removing the acetyl groups from histone protein, inducing chromatin condensation and in this way regulating the expression of tumor suppressor genes. HDACs grouped into four classes based on their homology to their respective yeast orthologous. Class I, II and IV HDACs contain zinc as a cofactor in their active site, whereas class III HDACs are NAD+-dependent enzymes known as sirtuins. Class I, II and IV HDACs are shown to be promising anticancer targets in drug development. Especially, hydroxamic acid derivatives show significant potential for inhibiting histone deacetylases efficantly in many cancer types. But, the selectivity of these inhibitors for various HDAC isoenzymes and cancer types keeps its mystery in current researches. The overexpression of HDAC isoforms is not same in all cancer types; in which the Class I and IIb HDAC isoforms are seemed to be overexpressed in cutaneous and hematologic cancer cells on the contrary to normal organ and endothelial cells. Thence, the selective inhibition of the Class IIb HDACs became quite outstanding targets in cancer chemotherapies. Class IIb HDACs are studied in silico studies aiming to discover lead compounds that could have the potential to be a drug candidate. The X-ray crystal structure of Class IIb HDAC6 was retrieved from protein data bank (PDB) and prepared for further screening and docking processes by certain docking programs like AutoDock 4.2, AutoDockVina, and GOLD. Likewise, the crystal 3D structure of the Class IIb HDAC10 was obtained from our group's previous homology modeling studies because the X-ray crystal structure of HDAC10 has not resolved yet. By structure-based virtual screening, numerous small molecule databanks such as cancer-like compound database libraries and ZINC database, potential drug candidates against HDAC6 and HDAC10 is determined. The top inhibitors having good binding affinity and selectivity were subjected to structure-based in silico absorption, distribution, metabolism, elimination and toxicity (ADMET) prediction that show their drug-likeness properties. Moreover, molecular dynamics (MD) simulations are applied to their docking complexes to observe the stability of the ligand's binding modes. Based on this, promising novel and selective inhibitor candidates will be purchased along with the enzymes and their experimental biological activities will be tested as an anticancer drug. The compounds showing the highest inhibition activity are aimed to be used in cancer cell lines for further researches in drug discovery and drug development.Article Citation - WoS: 6Citation - Scopus: 8The Design of Potent Hiv-1 Integrase Inhibitors by a Combined Approach of Structure-Based Virtual Screening and Molecular Dynamics Simulation(Taylor & Francis Ltd, 2018) Samorlu, Augustine S.; Yelekçi, Kemal; Uba, Abdullahi IbrahimBu araştırmanın amacı, AIDS olarak bilinen insan bağışıklık sistemine etki eden, duraksamayan ve depresif bir hastalığa neden olan HIV-1'in tedavisi için potansiyel inhibitörleri elde etmektir. HIV-1 integraz inhibitörleri, HIV-1 enfeksiyonunun tedavisinde çok önemlidir. İntegraz enziminin (IN) inhibe edilmesi HIV-1 virüsünün çoğalma işleminin sonlandırılmasına neden olur. Böylece yaşam döngüsüne son verir. Bu inhibitörleri elde etmek için bilgisayar destekli in silico yaklaşım kullanılmıştır. Temelde, Otava Kimya Kütüphanesi tarandı ve inhibitör tasarımında kullanılan sistematik yaklaşımlar uygulandı, böylece dört güçlü integraz inhibitörü bulundu. İnhibitörlerin enzime bağlanma değerleri PyRx ve AutoDock 4.2 doklama programları kullanılarak gerçekleştirildi. Çalışmada bir kimyasalın güçlü bir inhibitör olabilmesi için hesaplanan serbest bağ enerjisi = -8.00 kcal / mol veya daha az olması ve integrazın aktif bölgesinde bulunan 3 önemli amino asidinden herhangi biri ile de etkileşimde bulunması kriterine uyulmuştur. Discovery Studio Visualizer, inhibitörlerin yapısını çizmekte, inhibitörü komplekslerinin resimlerini üretmekte, enzim ve inhibitör arasındaki etkileşimin türünü belirlememizi sağlayan 2D ve 3D yapıları görüntülemek için kullanıldı. Elde edilen dört güçlü inhibitörden, kendimizin tasarladığı moleküllerden (Ki= 652.83 nanomolar bir ve bağlanma serbest enerjisi -8.44kcal / mol), kalan üç inhibitörde, Otava Kimya Kütüphanesi'nde tarandı ve Otava koduyla parantez içerisinde listelenmiştir. Bunların inhibisyon sabiti ve bağlanma enerjileri sırasıyla; 107320240, Ki=131.7nm, -9.39kcal/ mol; 109750115, Ki= 44.19nm, -10.03kcal / mol; 111150115 Ki = 395.19nm, -8.74kcal / mol olarak bulunmuştur.Article Citation - Scopus: 6Molecular Modeling Studies of Some Phytoligands from Ficus Sycomorus Fraction as Potential Inhibitors of Cytochrome CYP6P3 Enzyme of Anopheles Coluzzii(University of Jordan,Deanship of Scientific Research, 2022) Babandi, Abba; Anosike, Chioma A.; Yelekçi, Kemal; Uba, Abdullahi Ibrahim; Ezeanyika, Lawrence U. S.Article Citation - WoS: 54Citation - Scopus: 66Synthesis Molecular Modeling in Vivo Study and Anticancer Activity of 124-Triazole Containing Hydrazide-Hydrazones Derived From (s)-Naproxen(Wiley-VCH Verlag GmbH, 2019) Han, Muhammed İhsan; Bekçi, Hatice; Uba, Abdullahi İbrahim; Yıldırım, Yeliz; Karasulu, Ercüment; Cumaoğlu, Ahmet; Karasulu, Hatice Y.; Yelekçi, Kemal; Yılmaz, Ozguer; Küçükgüzel, Şükriye GünizA new series of 124-triazole containing hydrazide-hydrazones derived from (S)-naproxen (7a-m) was synthesized in this study. The structures of these compounds were characterized by spectral (Fourier-transform infrared spectroscopy H-1-nuclear magnetic resonance (NMR) C-13-NMR and high-resolution electron ionization mass spectrometry) methods. Furthermore molecular modeling of these compounds was studied on human methionine aminopeptidase-2. All synthesized compounds were screened for anticancer activity against three prostate cancer cell lines (PC3 DU-145 and LNCaP) using the 3-(45-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium colorimetric method. Compound 7a showed the best activity against the PC3 DU-145 and LNCaP cancer cell lines with IC50 values of 26.0 34.5 and 48.8 mu M respectively. Compounds 7b 7k and 7m showed anticancer activity against cancer cell lines PC3 and DU-145 with IC50 values of 43.0 36.5 29.3 mu M and 49.8 49.1 31.6 mu M respectively. Compounds 7f and 7g showed anticancer activity against PC3 cells with IC50 values of 43.4 and 34.5 mu M respectively. To assess the biodistribution in mice of IRDye800 dye-labeled compound 7a or 100 mu M of free dye was injected intravenously into the mice's tail. In vivo images were taken with in vivo imaging system spectrum device at 60 120 180 240 300 and 360 min after injection. At the end of 360 min ex vivo studies were carried out to determine in which organs the dye was accumulated in the urogenital system. Ex vivo studies showed that the accumulation of compound 7a in the prostate is greater than that of the free dye and it is concluded that compound 7a may be promising for the treatment of prostate cancer..Article Citation - WoS: 34Citation - Scopus: 34New 2-Pyrazoline and Hydrazone Derivatives as Potent and Selective Monoamine Oxidase A Inhibitors(AMER CHEMICAL SOC, 2021) Salgın-Göksen, Umut; Telli, Gökçen; Erikci, Açelya; Dedecengiz, Ezgi; Tel, Banu Cahide; Kaynak, F. Betül; Yelekçi, Kemal; Ücar, Gülberk; Gökhan-Kelekçi, NesrinThirty compounds having 1-[2-(5-substituted-2-benzoxazolinone-3-yl) acetyl]-3,5-disubstitutedphenyl-2-pyrazoline structure and nine compounds having N'-(1,3-disubstitutedphenylallylidene)-2-(5-substituted- 2-benzoxazolinone-3-yl)-acetohydrazide skeleton were synthesized and evaluated as monoamine oxidase (MAO) inhibitors. All of the compounds exhibited selective MAO-A inhibitor activity in the nanomolar or low micromolar range. The results of the molecular docking for hydrazone derivatives supported the in vitro results. Five compounds, 6 (0.008 mu M, Selectivity Index (SI): 9.70 x 10(-4)), 7 (0.009 mu M, SI: 4.55 x 10(-5)), 14 (0.001 mu M, SI: 8.00 x 10(-4)), 21 (0.009 mu M, SI: 1.37 x 10(-5)), and 42 (0.010 mu M, SI: 5.40 x 10(-6)), exhibiting the highest inhibition and selectivity toward hMAO-A and nontoxic to hepatocytes were assessed for antidepressant activity as acute and subchronic in mice. All of these five compounds showed significant antidepressant activity with subchronic administration consistent with the increase in the brain serotonin levels and the compounds crossed the blood-brain barrier according to parallel artificial membrane permeation assay. Compounds 14, 21, and 42 exhibited an ex vivo MAO-A profile, which is highly consistent with the in vitro data.Article Citation - WoS: 2Citation - Scopus: 2Design, Synthesis, Molecular Modeling, and Bioactivity Evaluation of 1,10-Phenanthroline and Prodigiosin (ps) Derivatives and Their Copper(i) Complexes Against Mtor and Hdac Enzymes as Highly Potent and Effective New Anticancer Therapeutic Drugs(Frontiers Media Sa, 2022) Cetin, M. Mustafa; Peng, Wenjing; Unruh, Daniel; Mayer, Michael F.; Mechref, Yehia; Yelekci, KemalBreast cancer is the second type of cancer with a high probability of brain metastasis and has always been one of the main problems of breast cancer research due to the lack of effective treatment methods. Demand for developing an effective drug against breast cancer brain metastasis and finding molecular mechanisms that play a role in effective treatment are gradually increasing. However, there is no effective anticancer therapeutic drug or treatment method specific to breast cancer, in particular, for patients with a high risk of brain metastases. It is known that mTOR and HDAC enzymes play essential roles in the development of breast cancer brain metastasis. Therefore, it is vital to develop some new drugs and conduct studies toward the inhibition of these enzymes that might be a possible solution to treat breast cancer brain metastasis. In this study, a series of 1,10-phenanthroline and Prodigiosin derivatives consisting of their copper(I) complexes have been synthesized and characterized. Their biological activities were tested in vitro on six different cell lines (including the normal cell line). To obtain additional parallel validations of the experimental data, some in silico modeling studies were carried out with mTOR and HDAC1 enzymes, which are very crucial drug targets, to discover novel and potent drugs for breast cancer and related brain metastases disease.
