Synthesis, characterization, anti-inflammatory evaluation, molecular docking and density functional theory studies of metal based drug candidate molecules of tenoxicam
Results in Chemistry, Vol. 3, Ocak 2021, ISSN: 2211-7156
MUSLU HARUN, KALAYCIOĞLU ZEYNEP, ERDOĞAN TANER, GÖLCÜ AYŞEGÜL, ERİM FATMA BEDİA
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A novel 3-((5-methylpyridin-2-yl)amino)isobenzofuran-1(3H)-one: Molecular structure describe, X-ray diffractions and DFT calculations, antioxidant activity, DNA binding and molecular docking studies
Journal of Molecular Structure, Vol. 1205, Nisan 2020, s. 127585, ISSN: 0022-2860
YILMAZ ZEYNEP TANRIKULU,ODABAŞOĞLU HAKKI YASİN,ŞENEL PELİN,ADIMCILAR VESELİNA,ERDOĞAN TANER,ÖZDEMİR AYŞE,GÖLCÜ AYŞEGÜL,ODABAŞOĞLU MUSTAFA
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Comparative study of cytotoxic activities, DNA binding and molecular docking interactions of anticancer agent epirubicin and its novel copper complex
Journal of Molecular Structure, Vol. 1232, Ocak 2021, ISSN: 0022-2860
ADIMCILAR VESELİNA, ÇEŞME MUSTAFA, ŞENEL PELİN, DANIŞ İBRAHİM, ÜNAL DURİŞEHVAR, GÖLCÜ AYŞEGÜL
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Mechanism of interactions of dsDNA binding with quercetin and its two novel sulfonate derivatives using multispectroscopic, voltammetric, and molecular docking studies
Elsevier BV, Vol. 1276, Mart 2023, ISSN: 0022-2860
BEKAR YILDIRMAZ BUŞRA, ŞENEL PELİN, ERDOĞAN TANER, ALTAY FİLİZ, GÖLCÜ AYŞEGÜL
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Elucidation of binding interactions and mechanism of Fludarabine with dsDNA via multispectroscopic and molecular docking studies
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2020, ISSN: 0731-7085
ŞENEL PELİN,AGAR SOYKAN,SAYİN V OYKU,ALTAY FİLİZ,YURTSEVER MİNE,GÖLCÜ AYŞEGÜL
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Elucidation of DNA-Eltrombopag Binding: Electrochemical, Spectroscopic and Molecular Docking Techniques
MDPI AG, Vol. 13, Şubat 2023, ISSN: 2079-6374
SOMAYE CHERAGHİ, ŞENEL PELİN, DOĞAN TOPAL BURCU, AGAR SOYKAN, MAJİDİAN, MAHSA, YURTSEVER MİNE, BELLUR ATİCİ ESEN, GÖLCÜ AYŞEGÜL, ÖZKAN SİBEL AYŞIL
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Investigation of Antimicrobial Activities and Molecular Docking Studies of Synthesized Sulfonamide Compounds
Pharmaceutical Chemistry Journal, Vol. 57, Aralık 2023, ISSN: 0091-150X
ÖZBEY GÖKBEN,YILDIZ GÜLCEMAL,ŞENKAL BAHİRE FİLİZ,KORKMAZ BURAK,OTLU BARIŞ,ERKAN S,BULUT N,TANRIVERDİ EÇİK ESRA,ZİGO F
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Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing
STRUCTURE, Vol. 29, No. 12, Aralık 2021, s. 1382, ISSN: 0969-2126
DURDAĞI SERDAR, DOĞAN BERNA, DEMİRCİ HASAN
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Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
NEW JOURNAL OF CHEMISTRY, Vol. 45, No. 39, Ekim 2021, s. 18443-18452, ISSN: 1144-0546
MEHMET OĞUZ, DOĞAN BERNA, DURDAĞI SERDAR, KARAKURT SERDAR, YILMAZ MUSTAFA
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Design and synthesis of novel caffeic acid phenethyl ester (CAPE) derivatives and their biological activity studies in glioblastoma multiforme (GBM) cancer cell lines
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Vol. 113, Haziran 2022, ISSN: 1093-3263
SUCU BİLGESU ONUR, KOÇ ELİF BEYZA, SAVLUĞ İPEK ÖZGECAN, MİRAT AFRANUR, ALMAS FURKAN, GÜZEL MELİKE AYBALA, DOĞAN BERNA, ULUDAĞ DAMLA, KARAKAŞ NİHAL, DURDAĞI SERDAR, GÜZEL MUSTAFA
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Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2: A Combined in silico and in vitro Study
MOLECULAR INFORMATICS, Vol. 41, No. 2, Şubat 2022, ISSN: 1868-1743
DURDAĞI SERDAR, ORHAN MÜGE DİDEM, AKSOYDAN BUSECAN, CALİS SEYMA, DOĞAN BERNA, ŞAHİN KADER, SHAHRAKİ AİDA, IYİSON NECLA BİRGÜL, AVŞAR TİMUÇİN
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Synthesis, Biological Activities, Antioxidant Properties, and Molecular Docking Studies of Novel Bis-Schiff Base Podands as Responsive Chemosensors for Anions
JOURNAL OF MOLECULAR STRUCTURE, Vol. 1266, Ekim 2022, ISSN: 0022-2860
YAPAR GÖNÜL, DEMİR NESLİHAN, KİRAZ AŞKIN, YALÇIN ÖZKAT GÖZDE, YILDIZ MUSTAFA
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Synthesis, Quantum Chemical Calculations and Molecular Docking Studies, Biological and Anion Sensor Properties of (E)-4-[(4-ethoxy-phenylimino)methyl]-2-methoxyphenol
Croatica Cchemica Acta, Vol. 91, No. 3, Aralık 2018, ISSN: 0011-1643
ZEYREK CELAL TUĞRUL, ÜNVER HÜSEYİN, BOYACIOĞLU BAHADIR, DEMİR NESLİHAN, YAPAR GÖNÜL, DAL HAKAN, YILDIZ MUSTAFA
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Predicting novel small inhibitors of SARS-CoV-2: Targeting SARS-CoV-2 spike protein, human ACE2 protein and SARS-CoV-2 NsP16 via molecular docking
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2022
ONUR ÖZER
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The computational study on the elucidation of the binding interactions and mechanism of anti-neoplastic purine derivative drugs with DNA: Molecular docking and md simulation studies
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2022
SOYKAN AĞAR
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Determination of Candidate Alternative Plant Actives for Dementia and Alzheimer’s
Disease Proteins through Docking Studies
Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Vol. 27, No. 2, Aralık 2023, s. 255-265, ISSN: 1308-6529
SEVİMOĞLU TUBA, ENİSOĞLU ATALAY VİLDAN, ÖZTÜRK AYŞENUR
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Comparison and assessment of speed and accuracy of AutoDock Vina and AutoDock CrankPep for short peptide docking
The 14th International Symposium on Health Informatics and Bioinformatics, Ankara/TÜRKİYE, 10 Eylül 2021
BADAY SEFER, USTA NUMAN NUSRET
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