Browsing by Author "Yelekçi, Kemal"
Now showing items 1-20 of 82
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"2-pirazolin yapısındaki yeni bir bileşiğin sentezi, moleküler modellemesi ve monoaminoksidaz inhibitörü etkisinin araştırılması"
Aksöz Evranos, Begüm; Uçar, Gülberk; Yelekçi, Kemal (Türkiye Halk Sağlığı Kurumu, 2018)Amaç: Nöromediatörlerin yıkımından sorumlu olan monoamin oksidaz (MAO) enziminin izoformlarının (MAO-A ve -B) birçok hastalık ile yakından ilişkili olduğu; MAO inhibitörlerinin depresyon, Parkinson ve Alzheimer hastalığı ... -
Absolute configuration and biological profile of pyrazoline enantiomers as MAO inhibitory activity
Goksen, Umut Salgin; Sarıgül, Sevgi; Bultinck, Patrick; Herrebout, Wouter; Doğan, İlknur; Yelekçi, Kemal; Uçar, Gülberk; Kelekçi, Nesrin Gökhan (Wiley, 2019)A 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 ... -
Aryl butenoic acid derivatives as a new class of histone deacetylase inhibitors: synthesis in vitro evaluation and molecular docking studies
Esiyok, Peruze Ayhan; Seven, özlem; Eymur, Guluzar; Tatar, Gamze Bora; Erden, Didem Dayangaç; Yelekçi, Kemal; Yurter, Hayat; Demir, Ayhan S. (Scientific Technical Research Council Turkey-Tubitak, 2014)New aryl butenoic acid derivatives have been synthesized by combining hydroxy- or methoxy-substituted phenyl rings as the capping group with a double bond in the short linker as well as metal binding groups enoic ester and ... -
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
Karadeniz, Sedat Tanju (Kadir Has Üniversitesi, 2023-01)The 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 ... -
Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening molecular docking and dynamics simulation studies
Uba, Abdullahi Ibrahim; Yelekçi, Kemal (Elsevier Science, 2018)Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of alpha-tubulin making it a viable target of anticancer drug design and development. The crystal ... -
Cis-cyclopropylamines as mechanism-based inhibitors of monoamine oxidases
Malcomson, Thomas; Yelekçi, Kemal; Borrello, Maria Teresa; Ganesan, A.; Semina, Elena; De Kimpe, Norbert; Mangelinckx, Sven; Ramsay, Rona R. (Wiley-Blackwell, 2015)Cyclopropylamines inhibitors of monoamine oxidases (MAO) and lysine-specific demethylase (LSD1) provide a useful structural scaffold for the design of mechanism-based inhibitors for treatment of depression and cancer. For ... -
COMP 297-Experimental and molecular docking simulation studies of Histone deacetylases (HDACs) enzyme inhibitors
Yelekçi, Kemal; Bora, Gamze; Dayangaç-Erden, Didem; Ayhan, Peruze; Dalkara, Sevim; Demir, Ayhan S.; Erdem-Yurter, Hayat (Amer Chemical Soc, 2007)[Abstract Not Available] -
A computational study on the amine-oxidation mechanism of monoamine oxidase: Insight into the polar nucleophilic mechanism
Sağ Erdem, Safiye; Karahan, Özlem; Yıldız, İbrahim; Yelekçi, Kemal (Royal Soc Chemistry, 2006)The proposed polar nucleophilic mechanism of MAO was investigated using quantum chemical calculations employing the semi-empirical PM3 method. In order to mimic the reaction at the enzyme's active site the reactions between ... -
Corrected Panel-Reactive Antibody Positivity Rates for Hypersensitized Patients in Turkish Population With Calculated Panel-Reactive Antibody Software
Karadeniz, Sedat Tanju; Akgül, Sebahat Usta; Öğret, Yeliz; Çiftçi, Hayriye Şentürk; Bayraktar, Adem; Bakkaloğlu, Hüseyin; Çalışkan, Yaşar Kerem; Yelekçi, Kemal; Türkmen, Aydin; Aydın, Ali Emin; Oğuz, Fatma Savran; Çarin, Mahmut Nezih; Aydın, Filiz (Elsevier Science Inc, 2017)however the rate was 86.2% using the cPRA. Discussion. cPRA shows the rate of the rejected donors according to all unacceptable antigens. The need for a list of unacceptable antigens in place of the PRA positivity rate is ... -
Corrected PRA positivity rates for hypersensitized patients in Turkish population with calculated PRA-cPRA software
Karadeniz, Sedat Tanju (Kadir Has Üniversitesi, 2017)Yüksek PRA (Panel Reaktif Antikor) oranları, böbrek nakli şansını düşürebilir ve nakilden önce uzun süre beklemeye yol açabilir. cPRA (Hesaplamalı Panel Reaktif Antikor), kabul edilemez (uyumsuz) HLA (Human Lökosit Antijen) ... -
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
Uba, Abdullahi İbrahim; Yelekçi, Kemal (Taylor & Francis, 2020)Histone deacetylase (HDAC) 10 has been implicated in the pathology of various cancers and neurodegenerative disorders, making the discovery of novel inhibitors of the isoform an important endeavor. However, the unavailability ... -
Design and synthesis of novel 2-pyrazoline analogues and their hMAO inhibitory activities
Uçar, Gülberk; Evranos-Aksoz, Begum; Yabanoglu-Çiftçi, Samiye; Yelekçi, Kemal (Wiley-Blackwell, 2015)[Abstract Not Available] -
Design of novel and potent inhibitors for mPGES-1 enzyme via in silico screening
Çiftçi, Gamze (Kadir Has Üniversitesi, 2021)To 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 ... -
The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation
Samorlu, Augustine S.; Yelekçi, Kemal; Uba, Abdullahi Ibrahim (Taylor & Francis Ltd, 2018)Bu 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, ... -
Design, Synthesis and hMAO Inhibitory Screening of Novel 2-Pyrazoline Analogues
Evranos-Aksöz, Begüm; Uçar, Gülberk; Yelekçi, Kemal (Bentham Science Publ Ltd, 2017)Aim and Objective: MAO inhibitors have a significant effect on the nervous system since they act in regulation of neurotransmitter concentrations. Neurotransmitter levels are critical for a healthy nervous system. MAO ... -
Designing inhibitors via molecular modelling methods for monoamine oxidase isozymes a and b
Varnalı, Filiz (Kadir Has Üniversitesi, 2012)in drug development studies a large number of new drug candidates (leads)have to be synthesized and optimized by changing several moieties of the leads in order to increase efficacies and decrease toxicities. Each synthesis ... -
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
Mert, Naz Mina (Kadir Has Üniversitesi, 2021)HDACs 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 ... -
Discovery of novel isoform-selective histone deacetylases 5 and 9 inhibitors through combined ligand-based pharmacophore modeling, molecular mocking, and molecular dynamics simulations for cancer treatment
Elmezayen, Ammar D.; Al-Obaidi, Anas; Yelekçi, Kemal (Elsevier, 2021-07)Class IIa histone deacetylases (HDACs) 5 and 9 play crucial roles in several human disorders such as cancer, making them important targets for drug design. Continuous research is pursed to overcome the cytotoxicity side ... -
Docking studies on monoamine oxidase-B inhibitors: Estimation of inhibition constants (K-i) of a series of experimentally tested compounds
Toprakçı, Mustafa; Yelekçi, Kemal (Pergamon-Elsevier Science Ltd, 2005)Monoamine oxidase (EC1.4.3.4 -
Docking study of resveratrol like molecules on histone deacetylase
Alnemsi, Fatma (Kadir Has Üniversitesi, 2016)The modulation of histone acetylation plays a pivotal role in the regulation of gene expression by governing the state of lysine residues located on the amino – terminal tails of histone proteins. A dynamic balance of ...