Mechanistic Investigation of Lysine-Targeted Covalent Inhibition of PI3Kδ via ONIOM QM:QM Computations
Fındık, Volkan, Varınca Gerçik, Betül Tuba, Sinek, Öykü, Erdem, Safiye Sağ, Ruiz-López, Manuel F.
Published in Journal of chemical information and modeling (26.12.2022)
Published in Journal of chemical information and modeling (26.12.2022)
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Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives
Fjodorova, Natalja, Novič, Marjana, Venko, Katja, Rasulev, Bakhtiyor, Türker Saçan, Melek, Tugcu, Gulcin, Sağ Erdem, Safiye, Toropova, Alla P., Toropov, Andrey A.
Published in International journal of molecular sciences (15.09.2023)
Published in International journal of molecular sciences (15.09.2023)
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One-pot synthesis of oxazolidinones and five-membered cyclic carbonates from epoxides and chlorosulfonyl isocyanate: theoretical evidence for an asynchronous concerted pathway
Demir, Esra, Sari, Ozlem, Çetinkaya, Yasin, Atmaca, Ufuk, Sağ Erdem, Safiye, Çelik, Murat
Published in Beilstein journal of organic chemistry (21.07.2020)
Published in Beilstein journal of organic chemistry (21.07.2020)
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In vitro and in silico investigation of inhibitory activities of 3-arylcoumarins and 3-phenylazo-4-hydroxycoumarin on MAO isoenzymes
Yuce-Dursun, Basak, Danış, Özkan, Ozalp, Lalehan, Sahin, Elif, Demir, Serap, Erdem, Safiye Sağ, Ogan, Ayse
Published in Structural chemistry (01.10.2023)
Published in Structural chemistry (01.10.2023)
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How fullerene derivatives (FDs) act on therapeutically important targets associated with diabetic diseases
Fjodorova, Natalja, Novič, Marjana, Venko, Katja, Drgan, Viktor, Rasulev, Bakhtiyor, Türker Saçan, Melek, Sağ Erdem, Safiye, Tugcu, Gulcin, Toropova, Alla P., Toropov, Andrey A.
Published in Computational and structural biotechnology journal (01.01.2022)
Published in Computational and structural biotechnology journal (01.01.2022)
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Synthesis of Tolmetin Hydrazide-Hydrazones and Discovery of a Potent Apoptosis Inducer in Colon Cancer Cells
Küçükgüzel, Ş. Güniz, Koç, Derya, Çıkla-Süzgün, Pelin, Özsavcı, Derya, Bingöl-Özakpınar, Özlem, Mega-Tiber, Pınar, Orun, Oya, Erzincan, Pınar, Sağ-Erdem, Safiye, Şahin, Fikrettin
Published in Archiv der Pharmazie (Weinheim) (01.10.2015)
Published in Archiv der Pharmazie (Weinheim) (01.10.2015)
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Newly synthesized piperazine derivatives as tyrosinase inhibitors: in vitro and in silico studies
Dokuzparmak, Cigdem, Oz Tuncay, Fulya, Basoglu Ozdemir, Serap, Kurnaz, Busra, Demir, Ilke, Colak, Ahmet, Sag Erdem, Safiye, Yildirim, Nuri
Published in Journal of the Iranian Chemical Society (01.07.2022)
Published in Journal of the Iranian Chemical Society (01.07.2022)
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Stable hemiaminals from axially chiral pyridine compounds
Tuncel, Senel Teke, Demir, Ilke, Erdem, Safiye Sağ, Dogan, Ilknur
Published in Chirality (New York, N.Y.) (01.06.2023)
Published in Chirality (New York, N.Y.) (01.06.2023)
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Mechanistic Insights into the Reaction of N‐Propargylated Pyrrole‐ and Indole‐Carbaldehyde with Ammonia, Alkyl Amines, and Branched Amines: A Synthetic and Theoretical Investigation
Sari, Ozlem, Seybek, Ali Fatih, Kaya, Serdal, Menges, Nurettin, Erdem, Safiye Sag, Balci, Metin
Published in European journal of organic chemistry (01.09.2019)
Published in European journal of organic chemistry (01.09.2019)
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Journal Article
QSPR analysis of the toxicity of aromatic compounds to the algae ( Scenedesmus obliquus)
Saçan, Melek Türker, Özkul, Mustafa, Erdem, Safiye Sağ
Published in Chemosphere (Oxford) (01.06.2007)
Published in Chemosphere (Oxford) (01.06.2007)
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