Person: AKDEMİR, ATİLLA
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Publication Metadata only Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain.(2012-10-01) THOMPSON, AJ; de, Graaf; Akdemir, ATİLLA; de, Esch; KOOISTRA, AJ; EDINK, E; LUMMIS, SC; AKDEMİR, ATİLLAA hierarchical in silico screening procedure using the crystal structure of an agonist bound chimeric α7/Ls-AChBP protein was successfully applied to both proprietary and commercial databases containing drug-like molecules. An overall hit rate of 26% (pK(i) ≥5.0) was obtained, with an even better hit rate of 35% for the commercial compound collection. Structurally novel and diverse ligands were identified. Binding studies with [(3)H]epibatidine on chimeric α7/5-HT(3) receptors yielded submicromolar inhibition constants for identified hits. Compared to a previous screening procedure that utilized the wild type Ls-AChBP crystal structure, the current study shows that the recently obtained α7/Ls-AChBP chimeric protein crystal structure is a better template for the identification of novel α7 receptor ligands.Publication Metadata only Fragment growing induces conformational changes in acetylcholine-binding protein: a structural and thermodynamic analysis.(2011-04-13T00:00:00Z) SIXMA, TK; SMIT, AB; Akdemir, ATİLLA; de, Esch; LEURS, R; van, Muijlwijk-Koezen; van, Nierop; JANSSEN, E; van, Elk; ZUIDERVELD, O; NAHAR, T; RETRA, K; RUCKTOOA, P; EDINK, E; AKDEMİR, ATİLLAPublication Metadata only Abietane diterpenoids as butyrylcholinesterase inhibitors from Salvia species(2012-08-01) Topcu, GÜLAÇTI; Akdemir, ATİLLA; Öztürk, Mahmut Serdar; Boğa, Miray; Kola, U.; TOPÇU, GÜLAÇTI; AKDEMİR, ATİLLAPublication Metadata only Molecular modelling studies to understand the effects of bioactive compounds on DNA and gene expression(2015-11-24) AKDEMİR, ATİLLA; AKDEMİR, ATİLLAPublication Metadata only A novel library of saccharin and acesulfame derivatives as potent and selective inhibitors of carbonic anhydrase IX and XII isoforms.(2016-03-01) CERUSO, M; SECCI, D; De, Monte; MOLLICA, A; SOBOLEV, AP; Akdemir, ATİLLA; SUPURAN, CT; GUGLIELMI, P; De, Cosmi; CODISPOTI, R; CARRADORI, S; AKDEMİR, ATİLLAPublication Metadata only Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors.(2011-10-15T00:00:00Z) RUCKTOOA, P; JONGEJAN, A; Akdemir, ATİLLA; de, Esch; de, Graaf; LEURS, R; SMIT, AB; BERTRAND, D; SIXMA, TK; BERTRAND, S; ELK, RV; AKDEMİR, ATİLLAPublication Metadata only Synthesis of a new series of dithiocarbamates with effective human carbonic anhydrase inhibitory activity and antiglaucoma action.(2015-05-15) LANZI, C; SUPURAN, CT; MASINI, E; CARTA, F; VULLO, D; ISIK, S; SCOZZAFAVA, A; BOZDAG, M; Akdemir, ATİLLA; AKDEMİR, ATİLLAPublication Metadata only Molecular docking and in vitro bioactivity of 5-fluoroindole derivatives on ER, aromatase and CYP1B1 activity in breast cancer cells(2019-10-15T00:00:00Z) Ince, E.; Fatullayev, H.; AKDEMİR, ATİLLA; Suzen, S.; Gurer-Orhan, H.; AKDEMİR, ATİLLAPublication Metadata only Target Recognition Molecules and Molecular Modeling Studies(2017-01-01) Bütün, Burcu; Akdemir, Atilla; BÜTÜN, BURCU; AKDEMİR, ATİLLAPublication Open Access The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.(2013-02-15) CARGINALE, V; CAPASSO, C; SUPURAN, CT; VULLO, D; De, Luca; SCOZZAFAVA, A; ROSSI, M; Akdemir, ATİLLA; AKDEMİR, ATİLLA