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AKDEMİR, ATİLLA

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Author: AKDEMİR, ATİLLA × Author: Akdemir, Atilla × Has files: false ×

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    Molecular modeling studies on dithiocarbamates and dithiocarbonates containing 6-nitrosaccharin scaffold as antitubercular agents​
    (2022-03-12T00:00:00Z) Dingiş Birgül, Serap İpek; Trawally, Muhammed; Demir Yazıcı, Kübra; Akdemir, Atilla; Güzel Akdemir, Özlen; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLA
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    Target Recognition Molecules and Molecular Modeling Studies
    (2017-01-01) Bütün, Burcu; Akdemir, Atilla; BÜTÜN, BURCU; AKDEMİR, ATİLLA
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    The application of molecular modelling studies to understand the selectivity and potency of several novel carbonic anhydrase inhibitors
    (2019-11-14T00:00:00Z) Akdemir, Atilla; AKDEMİR, ATİLLA
    The application of molecular modelling studies to understand the selectivity and potency of several novel carbonic anhydrase inhibitorsAtilla AkdemirComputer-Aided Drug Discovery Laboratory, Department of Pharmacology, Faculty of Pharmacy, Bezmialem Vakif University, 34093 Istanbul, Turkeyaakdemir@bezmialem.edu.trCAs are metalloenzymes that catalyse the reversible hydration of carbon dioxide to bicarbonate. Eventhough this is a simple reaction, it influences physiological pH values and provides bicarbonate for bioreactions or maintaining the ion balance.[1,2] Many isoforms exist with different tissue distribution and reaction kinetics and thus CA isoforms are involved in different physiological processes. For example, hCA IX and XII are overexpressed in hypoxic tumour cells and are involved in the survival of those cells. CAs from pathogenic microorganisms are involved in virulence. As such, selective inhibitors of specific target CAs may be drug candidates for antimicrobial or anticancer chemotherapy agents.In both previous and ongoing studies, we synthesized structurally novel sulfonamides and tested them against carbonic anhydrase (CA) isozymes that are considered drug targets for anticancer chemotherapeutics or antimicrobial agents.[3] Several inhibitors have been obtained that selectively and potently inhibit tumour-associated hCA IX/XII or pathenic CAs, while they only show poor inhibition of the widespread off-targets hCA I/II. Molecular modelling studies have been performed to understand the reasons behind the selectivity and potency of these compounds. These results will direct our synthesis efforts in obtaining inhibitors with higher selectivity and potency.References [1] Supuran, C.T.; Scozzafava, A. Carbonic anhydrases as targets for medicinal chemistry. Bioorganic and Medicinal Chemistry 2007, 13, 4336-4350 [2] Supuran, C.T. Carbonic anhydrases: novel therapeutic applications for inhibitors and activators. Nature Reviews Drug Discovery 2008, 2, 168-181 [3] Demir-Yazıcı, K.; Bua, S.; Akgüneş, N.M.; Akdemir, A.; Supuran, C.T. and Güzel-Akdemir, Ö. Indole-based hydrazones containing a sulfonamide moiety as selective inhibitors of tumor-associated human carbonic anhydrase isoforms IX and XII. Internationl Journal of Molecular Science 2019, 20(9), 2354
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    Computer Aided Design and Synthesis of New Ursane Triterpenoids with Nuclear Factor Kappa B Inhibition Effect
    (2019-12-19) Şenol, Halil; Akdemir, Atilla; Topçu, Gülaçtı; ŞENOL, HALIL; AKDEMİR, ATİLLA; TOPÇU, GÜLAÇTI
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    Hit Identification Against DNA Topoisomerases Using Virtual Screenings
    (2019-03-14T00:00:00Z) Akdemir, Atilla; AKDEMİR, ATİLLA
    Hit Identification Against DNA Topoisomerases Using Virtual ScreeningsAtilla AkdemirComputer-aided drug discovery laboratory, Department of Pharmacology, Faculty of Pharmacy, Bezmialem Vakif University, Istanbul, Turkeyaakdemir@bezmialem.edu.tr DNA is in a supercoiled and compact state in non-dividing cells. However, DNA must be unwound to enable replication and transcription by DNA polymerases and RNA polymerases, respectively. The winding and unwinding of DNA is being performed by DNA topoisomerases and as such these enzymes are crucial in cell division and cell growth. Therefore, DNA topoisomerase inhibitors are clinically used in cancer chemotherapy, as antiviral agents and as antibiotics. Human DNA topoisomerase II isoforms α and β are targets for several chemotherapeutic agents such as etoposide. Here we aim to identify structurally new inhibitors of these enzymes by virtual screening procedures. To this end, a small virtual library has been constructed and this library has subsequently been docked into the active sites of isoforms α and β. Compounds that were expected to inhibit the enzymes were synthesized and subsequently tested in enzyme inhibition assays.
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    Synthesis, anti-TB activities, and molecular docking studies of 4-(1,2,3-triazoyl)arylmethanone derivatives.
    (2022-02-21T00:00:00Z) Turkmen, Yunus; Yagiz Erdemir, Güler; Yuksel Mayda, Pelin; Akdemir, Atilla; Gunaydin Akyildiz, AYŞENUR; Altundas, Aliye; AKDEMİR, ATİLLA; GÜNAYDIN AKYILDIZ, AYŞENUR
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    In vitro evaluation of estrogenic, antiestrogenic and antitumor effects of amentoflavone.
    (2021-03-08T00:00:00Z) Aliyev, A T; Ozcan-Sezer, S; Akdemir, Atilla; Gurer-Orhan, H; AKDEMİR, ATİLLA