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
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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
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Now showing 1 - 10 of 105
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.Article Citation - WoS: 2Citation - Scopus: 1Synthesis and investigation of cytotoxic effects of compounds derived from flurbiprofen(Elsevier, 2023) Gokoglan, Ecem; Dere, Damla; Bedir, Ipek; Yelekci, Kemal; Telci, Dilek; Kucukguzel, S. GunizNew flurbiprofen derivatives containing 1,2,4-triazoline-5-thione (4) and thioethers (5a-r) were synthesized in this study. The structures of synthesized compounds were characterized by spectral methods (FT-IR, 1H NMR, 13C NMR) and 19F NMR (only compound 5l), besides elemental analysis. In addition, molecular binding of these compounds to the human methionine aminopeptidase 2 enzyme was performed using AutoDock 4.2, the software product of the research, computationally. All synthesized compounds were evaluated for cytotoxic effect against MDA-MB231 triple-negative breast cancer cell line by using WST-1 Cell Viability and Proliferation assay. Doxorubicin is in the anthracycline class and is an antineoplastic agent. It is used to provide regression in common neoplastic conditions such as breast carcinoma. Due to the cardiovascular side effects of doxorubicin, a combination study was conducted with the (& PLUSMN;)(R,S)-3-{1-[2-fluoro-(1,1 & PRIME;-biphenyl)-4-yl]ethyl}-4-methyl-5-{[2(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole (5l) with promising cytotoxic effects. As a result of the combination, it was shown as 7% MDA-MB231 cell viability. Therefore, based on the evaluations, a better cytotoxic effect was achieved with the 5l combination depending on the low dose of doxorubicin.Conference Object Thermal Rearrangement of 2-Acetoxy Trimethylbicyclo[3.1.0]hexane: Theoretical Elucidation of the Mechanism(Amer Chemical Soc, 2007) Yelekçi, Kemal; Erdem, Safiye Sağ[Abstract Not Available]Article Citation - WoS: 4Citation - Scopus: 4Thermal Rearrangement of 2-Acetoxy Theoretical Elucidation of the Mechanism(Elsevier Science, 2007) Erdem, Safiye Sağ; Uyar, Fahriye; Karahan, Özlem; Yelekçi, KemalBicyclohexenes are believed to be the immediate precursors of aromatic compounds. As a part of the exploratory study of thermal aromatization reactions 266-trimethylbicyclo[3.1.0]hexan-2-ol and its ester derivative 2-acetoxy-266-trimethylbicyclo[3.1.0]hexane were synthesized. Pyrolysis of 2-acetoxy-266-trimethylbicyclo[3.1.0]hexane at 350 degrees C gave 133-trimethyl-14-cyclohexadiene instead of the expected product 266-trimethylbicyclo[3.1.0]hex-2-ene. Computational methods such as PM3 31G]* were employed in order to elucidate the mechanism of this reaction. The Gibbs free energy of activation and the reaction energy were calculated for the proposed polar and biradical mechanisms. The results showed that a two-step mechanism is plausible at 350 degrees C in which the expected product 266-trimetliylbicyclo[3.1.0]hex2-ene is the intermediate. The first step is the 12-elimination of the ester leading to 266-trimethylbicyclo [3. 1. 0]hex-2-ene. The second step is the sigmatropic rearrangement of 266-trimethylbicyclo[3.1.0]hex-2-ene via concerted homodienyl 15-hydrogen shift which is also the rate-determining step. UB3LYP/6-31G* calculations reveal that the cyclopropyl moiety of bicyclo[3.1.0]hex-2-ene can undergo homolytic bond cleavage to give an allylically stabilized biradical intermediate. However the formation of 14-cyclohexadiene from such an intermediate through a biradical transition state involving 12-hydrogen migration does not seem to be plausible. (c) 2007 Elsevier B.V. All rights reserved.Master Thesis Design of Novel and Potent Inhibitors for Mpges-1 Enzyme Via in Silico Screening(Kadir Has Üniversitesi, 2021) Çiftçi, Gamze; Yelekçi, KemalTo prevent inflammation in the body, non-steroidal anti-inflammatory drugs act by suppressing PGE2 production as a result of non-selective inhibition of both COX-1 and COX-2 enzymes. As a result of the inhibition of COX-1 and COX-2, gastrointestinal poisoning and cardiovascular complications occurred, respectively. mPGES-1 inhibitors have been shown to have no known side effects. Thus, inhibition of PGE2 biosynthesis by inhibition of mPGES-1 has become a new therapeutic target in the treatment of inflammatory diseases, which is considered to be clinically safer. In this thesis, approximately 2.5 million ligands were downloaded from the ZINC particle library to screen the mPGES-1 enzyme. Prescreening of these ligands was performed with Autodock-Vina. 1261 compounds were scanned using Autodock 4. Binding energies and poses were determined. Based on the known inhibitor study available on the market. The best inhibitors were subjected to the ADMET test, and molecular dynamic simulation was performed for the four inhibitors determined as the best according to this test, and RMSD, RMSF, and Rg values were analyzed.Article Citation - Scopus: 1Integrated in Vivo and in Silico Evaluation of Antimalarial Compounds From Vernonia Ambigua Leaves Identified by GC-MS Profiling(Frontiers Media SA, 2025) Yusuf, Amina Jega; Alpha, Abdul-Rahman Abdullahi; Salihu, Mustapha; Aminu, Jamila; Sahin, Naz Mina Mert; Yelekci, Kemal; Imam, Mustapha UmarBackground: Malaria remains a global health challenge, and the emergence of drug-resistant Plasmodium strains has necessitated the search for new antimalarial agents. Vernonia ambigua is used traditionally to treat malaria in parts of Africa, but its pharmacological potential remains underexplored. The aim of this study was to evaluate the antimalarial activity and chemical constituents of the chloroform leaf extract (CLE) of V. ambigua using in vivo and in silico approaches. Methods: Acute toxicity was evaluated using Lorke's method, and antimalarial activity was assessed via Ryley and Peter's 4-day curative test in Plasmodium berghei-infected Swiss albino mice, followed by GC-MS profiling and in silico analyses (molecular docking and dynamics simulations) of the identified compounds. Results: The CLE showed a 73.8% parasite cure rate at 500 mg/kg, with no observed toxicity up to 5,000 mg/kg. GC-MS profiling revealed thirteen compounds, of which 9H-fluorene-4-carboxylic acid and Tolnaftate showed strong PfLDH binding (docking scores of -7.7 and -7.6 kcal/mol, respectively). Tolnaftate demonstrated potentially modest stability in the active site of PfLDH during MD simulation. ADME/toxicity profiling identified 9H-fluorene-4-carboxylic acid as the most promising compound, combining favorable bioavailability, low predicted toxicity, and good synthetic accessibility. Conclusion: V. ambigua possesses potent antimalarial properties, with 9H-fluorene-4-carboxylic acid and Tolnaftate emerging as promising PfLDH inhibitors. These findings support further investigation and development of its bioactive constituents as antimalarial drug leads.Article Citation - WoS: 10Citation - Scopus: 10Novel azole-urea hybrids as VEGFR-2 inhibitors: Synthesis, in vitro antiproliferative evaluation and in silico studies(Elsevier B.V., 2023) Shirzad, M.M.; Kulabaş, N.; Erdoğan, Ö.; Çevik, Ö.; Dere, D.; Yelekçi, K.; Danış, Ö.; Kucukguzel, IlkayThe vascular endothelial growth factor receptor-2 (VEGFR-2) is a receptor tyrosine kinase known to be abnormally expressed in various malignant tumors, including breast cancer, and is considered one of the most important contributors to tumor angiogenesis. Sorafenib is one of many VEGFR-2 inhibitors that have received approval for clinical use from the US FDA in recent years. Accordingly, in this study, the synthesis of two new pyrazoles, six 1,3,4-oxadiazoles, four 1,3,4-thiadiazoles, and ten 1,2,4-triazole-3-thione derivatives having structural characteristics similar to sorafenib was carried out. A preliminary screening of synthesized compounds and known inhibitors sorafenib and staurosporine at 10 µM concentration on in vitro activity of VEGFR-2 was performed, and compounds 10c, 8a, and 11 g were identified as the most potent derivatives with% VEGFR-2 residual activities lower than 30%, and dose-dependent inhibition studies was carried out to determine the IC50 values of these inhibitors. Compound 10c was found to be the most potent inhibitor of VEGFR-2 activity with an IC50 value of 0.664 µM. The anti-proliferative activity of synthesized derivatives was assessed against a breast carcinoma (MCF-7) cell line, a triple negative human breast adenocarcinoma (MDA-MB-231) cell line, and noncancerous fibroblast cells (L929). Compound 8a displayed superior activity when compared to sorafenib against MCF-7 (7.69 fold) and MDA-MB-231 (1.52 fold) cell lines while displaying 3.75-fold less toxicity against the normal L929 cell line. Annexin V binding assay revealed that compound 8a significantly increased early and late apoptosis in MCF-7 cells and late apoptosis and necrosis in MDA-MB-231 cells. Computational studies such as molecular docking and ADMET evaluation were performed to elucidate the binding interactions and drug-likeness of the synthesized compounds. The results indicate that compound 8a could be a promising candidate for the development of a novel anti-angiogenic and anti-proliferative agent. © 2023Article Citation - WoS: 6Citation - Scopus: 7Synthesis, in Vitro and in Silico Studies on Novel 3-Aryloxymethyl and Their Oxime Derivatives as Potent Inhibitors of Mpges-1(Elsevier, 2023) Erensoy, Gizem; Ding, Kai; Zhan, Chang-Guo; Ciftci, Gamze; Yelekci, Kemal; Duracik, Merve; Ozakpinar, Ozlem Bingol; Kucukguzel, IlkayHuman microsomal prostaglandin E synthase (mPGES)-1 is a glutathione-dependent membrane-bound enzyme which is involved in the terminal stage of prostaglandin E2 (PGE2) synthesis. It has been well reported as a key target for the discovery of new anti-inflammatory and anti-cancer drugs. Specific in-hibitors of mPGES-1 are anticipated to selectively restrain the generation of PGE2 induced by the in-flammatory stimuli, without obstructing of the regular biosynthesis of other homeostatic prostanoids. Therefore, the design of mPGES-1 inhibitors can represent a better choice to take control of PGE2 asso-ciated diseases, compared with conventional non-steroidal anti-inflammatory drugs and cyclooxygenase (COX) inhibitors, which are known for their serious side effects. Although there is an intensive effort for the identification of mPGES-1 inhibitors, none of the unveiled molecules so far have reached the clini-cal market. Therefore, the development of novel mPGES-1 inhibitors with proper drug-like properties is still an unmet medical need. As a continuation of our research for the identification of new chemotypes which might inhibit this enzyme, we now report the design and synthesis of 3-aryloxymethyl-5-[(2-oxo-2-arylethyl)sulfanyl]-1,2,4-triazoles and their oxime derivatives as inhibitors of human mPGES-1. All syn-thesized compounds were characterized by FTIR, 1 H NMR, 13 C NMR (for compounds 12, 14, 15, 26, 27) , HMBC (for compounds 6, 7, 8, 16, 19, 23, 28), and MS data. Twenty-four target compounds 7-30 were screened for their mPGES-1/COX-2 inhibitory activities as well as their cytotoxicity. Of these compounds, 20 and 24 showed potent mPGES-1 inhibition by IC50 values of 0.224 +/- 0.070 mu M and 1.08 +/- 0.35 mu M, re-spectively. These two compounds have also been observed to inhibit angiogenesis in matrigel tube forma-tion assay with no toxicity toward HUVEC cells. In silico studies were also held to understand inhibition mechanisms of the most active compounds using molecular docking, molecular dynamics calculations and ADMET predictions.(c) 2022 Elsevier B.V. All rights reserved.
