Mühendislik ve Doğa Bilimleri Fakültesi by Institution Author "Yelekçi, Kemal"
Now showing items 21-40 of 45
-
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 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 identification of novel and selective monoamine oxidase B inhibitors
Yelekçi, Kemal; Büyüktürk, Bora; Kayrak, Nurdan (SPRINGER WIEN, 2013)Monoamine 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 ... -
Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations
Erdem, Safiye Sag; Turkkan, Seyhan; Yelekçi, Kemal; Gokhan-Kelekçi, Nesrin (SPRINGER WIEN, 2013)The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools. -
Intermolecular interactions in human HDAC8 crystal structures and the stability of binding modes of co-crystallized inhibitors
Yelekçi, Kemal; Uba, Abdullahi Ibrahim (Amer Chemical Soc, 2019)[Abstract Not Available] -
MEDI 333-Histone deacetylase inhibition activity of resveratrol and its analogs
Dayangac-Erden, Didem; Ayhan, Peruze; Bora, Gamze; Yelekçi, Kemal; Dalkara, Sevim; Demir, Ayhan S.; Erdem-Yurter, Hayat (Amer Chemical Soc, 2007)[Abstract Not Available] -
Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies
Bora-Tatar, Gamze; Dayangac-Erden, Didem; Demir, Ayhan S.; Dalkara, Sevim; Yelekçi, Kemal; Erdem-Yurter, Hayat (Pergamon-Elsevier Science Ltd, 2009)In 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 ... -
Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6
Uba, Abdullahi Ibrahim; Yelekçi, Kemal (Elsevier Sci Ltd, 2018)Histone deacetylase (HDAC) 6 plays a role in oncogenic transformation and cancer metastasis via tubulin deacetylation, making it a critical target for anticancer drug design. However, lack of selectivity shown by many of ... -
Power of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor design
Tatar, Gamze Bora; Tokluman, Tenzile Deniz; Yelekçi, Kemal; Yurter, Hayat (Scientific Technical Research Council Turkey-Tubitak, 2011)In-vitro inhibition activity screening and in-silico 3D molecular modeling approaches are important tools for design and development of specific histone deacetylase (HDAC) inhibitors. The objective of this study was to ... -
Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors
Gökhan-Kelekçi, Nesrin; Şimşek, O. Özgün; Ercan, Ayşe; Yelekçi, Kemal; Şahin, Z. Sibel; Işık, Şamil; Uçar, Gülberk; Bilgin, Abdullah Altan (Pergamon-Elsevier Science Ltd, 2009)A novel series of 2-thiocarbamoyl-234567-hexahydro-1H-indazole and 2-substituted thiocarbamoyl-33a 4567-hexahydro-2H-indazoles derivatives were synthesized and investigated for the ability to inhibit the activity of the A ... -
Synthesis and screening of hMAO inhibitory activities of some new 2-pyrazoline and hydrazone derivatives
Evranos-Aksoz, Begum; Yabanoglu-Ciftci, Samiye; Ucar, Gulberk; Yelekçi, Kemal; Ertan, Rahmiye (Wiley-Blackwell, 2014)[Abstract Not Available] -
Synthesis and Screening of Human Monoamine Oxidase-A Inhibitor Effect of New 2-Pyrazoline and Hydrazone Derivatives
Evranos-Aksoz, Begüm; Baysal, İpek; Yabanoğlu-Çiftçi, Samiye; Djikic, Teodora; Yelekçi, Kemal; Uçar, Gülberk; Ertan, Rahmiye (Wiley-VCH Verlag GmbH, 2015)A group of 35-diaryl-2-pyrazoline and hydrazone derivatives was prepared via the reaction of various chalcones with hydrazide compounds in ethanol. Twenty original compounds were synthesized. Ten of these original compounds ... -
Synthesis anticancer activity and molecular modeling of etodolac-thioether derivatives as potent methionine aminopeptidase (type II) inhibitors
Çoruh, Işıl; Çevik, Ozge; Yelekçi, Kemal; Djikic, Teodora; Küçükgüzel, Şükriye Güniz (Wiley, 2018)A series of (RS)-1-{[5-(substituted)sulfanyl-4-substituted-4H-124-triazole-3-yl]methyl}-18-diethyl-1349-tetrahydropyrano[34-b]indoles (5a-v) were designed and synthesized using a five-step synthetic protocol that involves ... -
Synthesis Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors
Coşkun, Göknil Pelin; Djikic, Teodora; Hayal, Taha Bartu; Turkel, Nezaket; Yelekçi, Kemal; Sahin, Fikrettin; Küçükgüzel, Şükriye Güniz (MDPI, 2018)Cyclooxygenase enzymes play a vital role in inflammatory pathways in the human body. Apart from their relation with inflammation the additional involvement of COX-2 enzyme with cancer activity was recently discovered. In ... -
Synthesis molecular modeling and in vitro screening of monoamine oxidase inhibitory activities of some novel hydrazone derivatives
Salgin-Goksen, Umut; Gokhan-Kelekçi, Nesrin; Yabanoglu-Ciftci, Samiye; Yelekçi, Kemal; Ucar, Gulberk (SPRINGER WIEN, 2013)Thirteen 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 ... -
Synthesis molecular modeling in vivo study and anticancer activity of 124-triazole containing hydrazide-hydrazones derived from (S)-naproxen
Han, Muhammed İhsan; Bekçi, Hatice; Uba, Abdullahi İbrahim; Yıldırım, Yeliz; Karasulu, Ercüment; Cumaoğlu, Ahmet; Karasulu, Hatice Y.; Yelekçi, Kemal; Yılmaz, Ozguer; Küçükgüzel, Şükriye Güniz (Wiley-VCH Verlag GmbH, 2019)A 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 ... -
Synthesis Molecular Modelling and Antibacterial Activity Against Helicobacter pylori of Novel Diflunisal Derivatives as Urease Enzyme Inhibitors
Coşkun, Göknil Pelin; Djikic, Teodora; Kalaycı, Sadık; Yelekçi, Kemal; Şahin, Fikrettin; Küçükgüzel, Şükriye Güniz (Bentham Science Publ Ltd, 2019)Background: The main factor for the prolongation of the ulcer treatment in the gastrointestinal system would be Helicobacter pylori infection which can possibly lead to gastrointestinal cancer. Triple therapy is the treatment ... -
Synthesis of some novel hydrazone and 2-pyrazoline derivatives: Monoamine oxidase inhibitory activities and docking studies
Evranos-Aksoz, Begum; Yabanoglu-Ciftci, Samiye; Ucar, Gulberk; Yelekçi, Kemal; Ertan, Rahmiye (Pergamon-Elsevier Science Ltd, 2014)A novel series of 2-pyrazoline and hydrazone derivatives were synthesized and investigated for their human monoamine oxidase (hMAO) inhibitory activity. All compounds inhibited the hMAO isoforms (MAO-A or MAO-B) competitively ...