Browsing by Author "Yelekçi, Kemal"
Now showing items 21-40 of 82
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Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies
Nikolic, Katarina; Mavridis, Lazaros; Djikic, Teodora; Vucicevic, Jelica; Agbaba, Danica; Yelekçi, Kemal; Mitchell, John B. O. (Frontiers Media Sa, 2016)The diverse cerebral mechanisms implicated in Central Nervous System (CNS) diseases together with the heterogeneous and overlapping nature of phenotypes indicated that multitarget strategies may be appropriate for the ... -
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes
Elmezayen, Ammar D.; Al-Obaidi, Anas; Sahin, Alp Tegin; Yelekçi, Kemal (TAYLOR & FRANCIS LTD, 2020)In December 2019, COVID-19 epidemic was described in Wuhan, China, and the infection has spread widely affecting hundreds of thousands. Herein, an effort was made to identify commercially available drugs in order to repurpose ... -
Ekmek mayası (saccharomyces cerevisiae) yardımı ile L-3,4- dihitroksifenil alanin (L-dopa) için yeni bir sentez yöntemi
Yelekçi, Kemal; Hamamcı, Haluk; Kahraman, M. Vezir; Karataş, Sevim (TUBITAK Scientific & Technical Research Council Turkey, 1997)Ekmek mayası (saccharomyces cerevisiae) kolay ve ucuz bulunan bir reaktif olmasına karşın, organik kimyada yaptığı tepkimeler hem ilginç hem de diğer sentez yöntemleri ile yapılması ya imkansız ya da çok zordur. Bu amaçla ... -
Epitope Based Hla Matching By Using Antibody Reactivity With High Resolution Allele Typing And Hlamatchmaker Algorithm Based Software
Karadeniz, Sedat Tanju; Akgül, Sebahat Usta; Çiftçi, Hayriye Şentürk; Öğret, Yeliz; Oğuz, Fatma; Yelekçi, Kemal; Aydın, Filiz (Wiley, 2017)[Abstract Not Available] -
Evaluation of selective human MAO inhibitory activities of some novel pyrazoline derivatives
Salgin-Goksen, Umut; Yabanoglu-Ciftci, Samiye; Ercan, Ayse; Yelekçi, Kemal; Ucar, Gulberk; Gokhan-Kelekçi, Nesrin (SPRINGER WIEN, 2013)A series of 1-[2-((5-methyl/chloro)-2-benzoxazolinone-3-yl)acetyl]-35-diaryl-45-dihydro-1H-pyrazole derivatives were prepared by reacting 2-((5-methyl/chloro)-2-benzoxazolinone-3-yl)acetylhydrazine with appropriate chalcones. ... -
Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation
Uba, Abdullahi Ibrahim; Weako, Jackson; Keskin, Özlem; Gürsoy, Attila; Yelekçi, Kemal (Taylor & Francis Inc, 2019)Histone deacetylase (HDAC) 8 has been implicated as a potential therapeutic target in a variety of cancers neurodegenerative disorders metabolic dysregulation and autoimmune and inflammatory diseases. Several nonselective ... -
Exploration of the binding pocket of histone deacetylases: the design of potent and isoform-selective inhibitors
Auba, Budullahi İbrahim; Yelekçi, Kemal (Tübitak, 2017)Histone deacetylases (HDACs) are enzymes that act on histone proteins to remove the acetyl group and thereby regulate the chromatin state. HDACs act not only on histone protein but also nonhistone proteins that are key ... -
Flavonoids from Sideritis Species: Human Monoamine Oxidase (hMAO) Inhibitory Activities Molecular Docking Studies and Crystal Structure of Xanthomicrol
Türkmenoğlu, Fatma Pınar; Baysal, Ipek; Çiftçi-Yabanoğlu, Samiye; Yelekçi, Kemal; Temel, Hamdi; Paşa, Salih; Ezer, Nurten; Çalış, Ihsan; Uçar, Gülberk (MDPI, 2015)The inhibitory effects of flavonoids on monoamine oxidases (MAOs) have attracted great interest since alterations in monoaminergic transmission are reported to be related to neurodegenerative diseases such as Parkinson's ... -
Histone Deacetylase Inhibition Activity and Molecular Docking of (E )-Resveratrol: Its Therapeutic Potential in Spinal Muscular Atrophy
Dayangac-Erden, Didem; Bora, Gamze; Ayhan, Peruze; Kocaefe, Çetin; Dalkara, Sevim; Yelekçi, Kemal; Demir, Ayhan S.; Erdem-Yurter, Hayat (Wiley, 2009)Spinal muscular atrophy is an autosomal recessive motor neuron disease that is caused by mutation of the survival motor neuron gene (SMN1) but all patients retain a nearly identical copy SMN2. The disease severity correlates ... -
Homology modeling andin silicodesign of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes
Elmezayen, Ammar D.; Yelekçi, Kemal (2020)Histone deacetylases (HDACs) are a group of enzymes that have prominent and crucial effect on various biological systems, mainly by their suppressive effect on transcription. Searching for inhibitors targeting their ... -
Homology modeling of human GABA-AT and devise some novel and potent inhibitors via computer-aided drug design techniques
Al-Obaidi, Anas; Elmezayen, Ammar D; Yelekçi, Kemal (Taylor & Francis Inc, 2020)Gamma-aminobutyric acid aminotransferase (GABA-AT) is a pyridoxal 5 '-phosphate (PLP)-dependent enzyme which degrades gamma-aminobutyric (GABA) in the brain. GABA is an important inhibitory neurotransmitter that plays ... -
Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors
Uba, Abdullahi Ibrahim; Yelekçi, Kemal (Taylor & Francis Inc, 2019)Histone deacetylases (HDACs) are implicated in the pathology of various cancers, and their pharmacological blockade has proven to be promising in reversing the malignant phenotypes. However, lack of crystal structures of ... -
Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities
Djikic, Teodora; Marti, Yasmina; Spyrakis, Francesca; Lau, Thorsten; Benedetti, Paolo; Davey, Gavin; Schloss, Patrick; Yelekçi, Kemal (Taylor & Francis Inc, 2019)Parkinson's disease (PD) is characterized by the loss of dopamine-generating neurons in the substantia nigra and corpus striatum. Current treatments alleviate PD symptoms rather than exerting neuroprotective effect on ... -
Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies
Weako, Jackson; Uba, Abdullahi Ibrahim; Keskin, Özlem; Gürsoy, Attila; Yelekçi, Kemal (Elsevier, 2020)Methionine Aminopeptidases MetAPs are divalent-cofactor dependent enzymes that are responsible for the cleavage of the initiator Methionine from the nascent polypeptides. MetAPs are classified into two isoforms: namely, ... -
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening ADMET prediction and molecular dynamics simulation assay
Uba, Abdullahi İbrahim; Yelekçi, Kemal (Taylor & Francis Inc, 2018)Histone deacetylases (HDACs) have gained increased attention as targets for anticancer drug design and development. HDAC inhibitors have proven to be effective for reversing the malignant phenotype in HDAC-dependent cancer ... -
In silico design and modeling of coumarin derivatives as selective monoamine oxidase a inhibitors
Karaman, Dilara (Kadir Has Üniversitesi, 2014)Selective and reversible inhibition of Monoamine Oxidase (MAO) isoenzymes has an important place in treatment of various neurological disorders. Out of the two isoforms of Monoamine Oxidase enzymes inhibition of MAO-A have ... -
In silico design of novel and highly selective cyclooxygenase-2 inhibitors
Mehmetoğlu, Tuğba (Kadir Has Üniversitesi, 2014)For many years, prevention of inflammation is achieved by inhibition of both cyclooxygenase (COX) enzymes; the eventual outcome is gastrointestinal toxicity. Selective inhibitor design for COX-2 initialized just after ... -
In silico design of novel and highly selective lysine-specific histone demethylase inhibitors
Akdoğan, Ebru Demet; Erman, Burak; Yelekçi, Kemal (Scientific Technical Research Council Turkey-Tubitak, 2011)Histone 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 ... -
In silico design of selective monoamine Oxidase B inhibitors using indane ring
Altuntas, Serkan (Kadir Has Üniversitesi, 2013)in the present work 209952 analogs of an indane scaffold were created using various fragment moieties at different position of indane ring. CHEMPLP module of GOLD program is utilized in the screening process. in order to ... -
In silico design of selective neuronal nitric oxide synthase inhibitors in order to prevent neurodegenerative diseases
Kayrak, Nurdan (Kadir Has Üniversitesi, 2013)Nitric Oxide syntheses (NOS) are the family of enzymes which catalyzes the oxidation L-Arginine amino acid to nitric oxide molecule (NO) L-citrulline. Mammals contain three different NOS isozymes: Neuronal NOS (nNOS, in ...