Yelekçi, Kemal
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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
11
SUSTAINABLE CITIES AND COMMUNITIES
0
Research Products
17
PARTNERSHIPS FOR THE GOALS
1
Research Products
14
LIFE BELOW WATER
0
Research Products
8
DECENT WORK AND ECONOMIC GROWTH
0
Research Products
15
LIFE ON LAND
0
Research Products
1
NO POVERTY
0
Research Products
7
AFFORDABLE AND CLEAN ENERGY
0
Research Products
6
CLEAN WATER AND SANITATION
0
Research Products
12
RESPONSIBLE CONSUMPTION AND PRODUCTION
0
Research Products
16
PEACE, JUSTICE AND STRONG INSTITUTIONS
1
Research Products
9
INDUSTRY, INNOVATION AND INFRASTRUCTURE
0
Research Products
3
GOOD HEALTH AND WELL-BEING
45
Research Products
2
ZERO HUNGER
0
Research Products
4
QUALITY EDUCATION
0
Research Products
10
REDUCED INEQUALITIES
0
Research Products
13
CLIMATE ACTION
0
Research Products
5
GENDER EQUALITY
1
Research Products
Documents
68
Citations
1858
h-index
22
Documents
78
Citations
1645
Scholarly Output
105
Articles
64
Views / Downloads
719/23660
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 |
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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: 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..Doctoral Thesis Augmented Virtual Crossmatch for Donor-Induced Antibody Prediction by Using High Resolution Human Leukocyte Antigen Typing and Human Leukocyte Antigen Epitope Mapping for Better Donor Match(Kadir Has Üniversitesi, 2023) Karadeniz, Sedat Tanju; Yelekçi, KemalThe Human Leukocyte Antigen (HLA) disparity between donors and recipients is the primary driver of Donor Specific Antibodies (DSA) formation and graft rejection after transplantation. We aimed to predict the DSA by finding the HLA antigen mismatches, searching the eplets of antigens that bind to the recipient's anti-HLA antibodies, calculating the number of shared eplets between the mismatched donor HLA antigens and the recipient's pre-transplantation anti-HLA antibody-bound antigens. We have used recipient-donor HLA Typing results and the recipient's pre-transplantation and post-transplantation anti-HLA antibody detection results by Luminex single antigen bead (Luminex-SAB) assay as retrospective data for calculation in five steps. We have compared the HLA Typing results to find the mismatched antigens in the first step and searched the relevant eplets for the recipient's pre-transplantation anti-HLA antibodies in the second step. Then we calculated the shared eplets between the donor's mismatched HLA antigens and the recipient's pre-transplantation anti-HLA antibodies to find the highest number of shares, then listed the most shared anti-HLA antibodies as the most probable DSA in the fourth step. Then, we confirmed the possible epitope's peptide AA (amino acid) sequences with the IEDB Bepipred-1.0 Antibody Epitope Prediction method using the donor's HLA antigen AA sequence.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: 8Citation - Scopus: 8Synthesis and evaluation of antiproliferative and mPGES-1 inhibitory activities of novel carvacrol-triazole conjugates(Acg Publications, 2022) Demirbolat, Ilker; Kulabas, Necla; Guerboga, Merve; oezakpinar, Oezlem Bingoel; ciftci, Gamze; Yelekci, Kemal; Liu, Jianyang; Özakpınar, Özlem Bingöl; Ogan, Ayse; Küçükgüzel, İlkay; Danış, Özkan; Gurboga, Merve; Küçükgüze, İlkaySome novel triazole-bearing acetamide derivatives 9-26 were synthesized starting from carvacrol. All synthesized compounds were characterized by FTIR,1H-NMR,13C-NMR and MS data. In vitro cytotoxic activities of all synthesized molecules against five cancer lines (human breast cancer MCF-7, human lung cancer A549, human prostate cancer PC-3, human chronic myelogenous leukemia K562, human neuroblastoma SH-SY5Y cell lines) were evaluated by MTT assay. Compounds were also tested on mouse embryonic fibroblast cells (NIH/3T3) to determine selectivity. Eighteen target compounds 9-26 were screened for their mPGES-1 and COX-1/2 inhibitory activities. Of these compounds, 26 (KUC16D425) showed the highest mPGES-1 inhibition at 10 mu M. This compound has also been observed to induce apoptosis and inhibit cell migration in MCF-7 cells. In silico molecular docking calculations were performed to understand the binding interactions of compounds with target proteins. ADMET predictions were also done to evaluate drug-like properties of the novel compounds.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 - WoS: 157Citation - Scopus: 177Molecular Modifications on Carboxylic Acid Derivatives as Potent Histone Deacetylase Inhibitors: Activity and Docking Studies(Pergamon-Elsevier Science Ltd, 2009) Bora-Tatar, Gamze; Dayangac-Erden, Didem; Demir, Ayhan S.; Dalkara, Sevim; Yelekçi, Kemal; Erdem-Yurter, HayatIn the light of known HDAC inhibitors 33 carboxylic acid derivatives were tested to understand the structural requirements for HDAC inhibition activity. Several modifications were applied to develop the structure-activity relationships of carboxylic acid HDAC inhibitors. HDAC inhibition activities were investigated in vitro by using HeLa nuclear extract in a fluorimetric assay. Molecular docking was also carried out for the human HDAC8 enzyme in order to predict inhibition activity and the 3D poses of inhibitor-enzyme complexes. Of these compounds caffeic acid derivatives such as chlorogenic acid and curcumin were found to be highly potent compared to sodium butyrate which is a well-known HDAC inhibitor. (C) 2009 Elsevier Ltd. All rights reserved.Master Thesis In Silico Screening of Tangible-Potential Inhibitor of Methionine Aminopeptidase 2 for the Treatment of Cancer(Kadir Has Üniversitesi, 2017) Weako, Jackson; Yelekçi, KemalMethionine Aminopeptidases (MetAPs) are divalent-cofactor dependent enzymes that are responsible for cleaving the initiator Methionine from the newly synthesized polypeptides. These metalloproteases are classified into two distinct isoforms- MetAP1 and MetAP2. The MetAP2 isoform is upregulated in many cancerous cells. A selective inhibition of MetAP2 is an effective means of suppressing vascularization and limiting both the size and metastasis of solid tumors in a model organism. A selective and potent inhibitor of MetAP2 is the natural product – fumagillin. Fumagillin and its semi-synthetic analogs have been shown as promising candidates in various clinical trials for treating cancer and in rent time for treating obesity. However their further developments have received a great setback due to their poor pharmacokinetic properties and neurotoxicities in clinical studies. Here in an effort to find potential inhibitors of MetAP2 in-silico Screening and Molecular Modelling were applied to generate a new class of inhibitors. The OTAVA's Chemical Library was screened and ten best compounds were selected based on their structural physicochemical properties and inhibitory potentials against MetAP2. PyRx AutoDock 4.2 and Accelrys (BiOViA Discovery Studio version 2016) were deployed to obtain these potential inhibitors. Utilizing OTAVA's Chemical Library 130 potential drug candidates were selected based on a threshold of -9.0Kcal/mole using PyRx. in order to re-evaluate and validate these 130 inhibitors AutoDock 4.2 was employed to dock these selected candidates. A total of 71 potential candidates were selected based on AutoDock result. Further analysis of their inhibition constants and Gibbs free energies led to the ten best potential candidates. Accelrys (BiOViA Discovery Studio version 2016) was used to identify the positions of these candidates in the active site of MetAP2. Discovery Studio's ADMET protocols was used to determine the pharmacokinetics properties of these candidates. it is anticipated herein that these candidates will serve as a new class of inhibitors and/or lead compounds for MetAP2.Article Citation - WoS: 18Citation - Scopus: 21Synthesis Molecular Modeling and in Vitro Screening of Monoamine Oxidase Inhibitory Activities of Some Novel Hydrazone Derivatives(SPRINGER WIEN, 2013) Salgin-Goksen, Umut; Gokhan-Kelekçi, Nesrin; Yabanoglu-Ciftci, Samiye; Yelekçi, Kemal; Ucar, GulberkThirteen 2-[2-(5-methyl-2-benzoxazolinone-3-yl)acetyl]-3/4/5-substituted benzylidenehydrazine derivatives were synthesized by reacting 2-(5-methyl-2-benzoxazolinone-3-yl)acetylhydrazine and substituted benzaldehydes in neutral and acid/base catalyzed conditions and a comparison was made in terms of their yields and reaction times. The structures of all compounds were confirmed by IR H-1 NMR C-13 NMR mass spectral data and elemental analyses. All the compounds were investigated for their ability to selectively inhibit MAO isoforms by in vitro tests and were found to inhibit recombinant human MAO-B selectively and reversibly in a competitive manner. Among the compounds examined compound 16 was found to be more selective than selegiline a known MAO-B inhibitor in respect to the K (i) values experimentally found. Additionally compounds 9 and 15 showed moderate MAO-B inhibitor activity. The interaction of compounds with MAO isoforms was investigated by molecular docking studies using recently published crystallographic models of MAO-A and MAO-B. The results obtained from the docking studies were found to be in good agreement with the experimental values.
