Search Results - "Tüzün, Burak"

Molecular docking and 4D-QSAR model of methanone derivatives by electron conformational-genetic algorithm method by Tüzün, Burak, Saripinar, Emin

“…In our QSAR study, pharmacophore identification and biological activity estimation of 80 methanone derivatives were performed with the Electron Conformation…”
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Quantum chemical study of thiaozole derivatives as corrosion inhibitors based on density functional theory by Tüzün, Burak, Bhawsar, Jeetendra

“…Quantum chemical and theoretical calculations were carried out in the present study of some thiaozole derivatives. Relationship between electronic parameters…”
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Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study by Kaya, Savaş, Tüzün, Burak, Kaya, Cemal, Obot, Ime Bassey

“…•Arginine is a good corrosion inhibitor compared to other amino acids studied.•The agreement between theoretical and experimental results was obtained.•Basic…”
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New anti-viral drugs for the treatment of COVID-19 instead of favipiravir by Aktaş, Ahmet, Tüzün, Burak, Aslan, Rukiye, Sayin, Koray, Ataseven, Hilmi

“…The SARS-CoV-2 virus is a major problem in the world right now. Currently, all the attention of research centers and governments globally are focused on the…”
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The Impact of D614G Mutation of SARS-COV-2 on the Efficacy of Anti-viral Drugs: A Comparative Molecular Docking and Molecular Dynamics Study by Poustforoosh, Alireza, Hashemipour, Hassan, Tüzün, Burak, Azadpour, Mahdiyeh, Faramarz, Sanaz, Pardakhty, Abbas, Mehrabani, Mehrnaz, Nematollahi, Mohammad Hadi

“…D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has altered some crucial characteristics of coronaviruses, such as rate of…”
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Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole by Shahzadi, Irum, Zahoor, Ameer Fawad, Tüzün, Burak, Mansha, Asim, Anjum, Muhammad Naveed, Rasul, Azhar, Irfan, Ali, Kotwica-Mojzych, Katarzyna, Mojzych, Mariusz

“…Novel azomethines derived from acefylline tethered triazole hybrids (7a-k) have been synthesized and evaluated against human liver cancer cell line (Hep G2)…”
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Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study by Guo, Lei, Safi, Zaki S, Kaya, Savas, Shi, Wei, Tüzün, Burak, Altunay, Nail, Kaya, Cemal

“…It is known that iron is one of the most widely used metals in industrial production. In this work, the inhibition performances of three thiophene derivatives…”
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Unravelling the Synthetic Mimic, Spectroscopic Insights, and Supramolecular Crystal Engineering of an Innovative Heteronuclear Pb(II)-Salen Cocrystal: An Integrated DFT, QTAIM/NCI Plot, NLO, Molecular Docking/PLIP, and Antibacterial Appraisal by Majumdar, Dhrubajyoti, Philip, Jessica Elizabeth, Tüzün, Burak, Frontera, A., Gomila, Rosa M., Roy, Sourav, Bankura, Kalipada

“…Spontaneous self-assembly in the supramolecular entity is one of the enthralling synthetic routes. It produces disparate structure crystal complexes after…”
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Architectural View of Flexible Aliphatic –OH Group Coordinated Hemi-Directed Pb(II)-Salen Coordination Polymer: Synthesis, Crystal Structure, Spectroscopic Insights, Supramolecular Topographies, and DFT Perspective by Majumdar, Dhrubajyoti, Tüzün, Burak, Pal, Tapan Kumar, Das, Sourav, Bankura, Kalipada

“…We serendipitously designed one novel 1D hetero-binuclear Zn(II)-Pb(II) coordination polymer, namely [(Zn)(Pb)(L)(η 1 –NCS)(η 1 –SCN)] n ( 1 ) from Salen…”
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Investigation of Benzimidazole Derivates as Corrosion Inhibitor by DFT by TÜZÜN, Burak

“…Benzimidazole derivates are investigated the activity of corrosion inhibitor molecules.In quantum chemical calculation, different parameters such as EHOMO,…”
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Synthesis, Spectroscopic Characterization, Antibacterial Activity, and Computational Studies of Novel Pyridazinone Derivatives by Daoui, Said, Direkel, Şahin, Ibrahim, Munjed M, Tüzün, Burak, Chelfi, Tarik, Al-Ghorbani, Mohammed, Bouatia, Mustapha, Karbane, Miloud El, Doukkali, Anass, Benchat, Noureddine, Karrouchi, Khalid

“…In this work, a novel series of pyridazinone derivatives ( - ) were synthesized and characterized by NMR ( H and C), FT-IR spectroscopies, and ESI-MS methods…”
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Synthesis of new carboxylates and sulfonates containing thiazolidin-4-one ring and evaluation of inhibitory properties against some metabolic enzymes by Tokalı, Feyzi Sinan, Taslimi, Parham, Tüzün, Burak, Karakuş, Ahmet, Sadeghian, Nastaran, Gulçin, İlhami

“…A series of thizaolidin-4-one derivatives ( 3a-o ) was synthesized with excellent yield (94–97%) and the structures of the compounds were characterized with…”
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Synthesis and characterization of some benzidine-based azomethine derivatives with molecular docking studies and anticancer activities by Erdoğan, Musa, Yeşildağ, Ali, Yıldız, Barış, Tüzün, Burak, Özden, Özkan

“…In this study, a benzidine-based azomethine derivate 2 with a proposed new mechanism and its two derivatives 4a-b have been designed, synthesized and…”
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Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives by Kafa, Ayşe Hümeyra Taşkın, Tüzün, Gamze, Güney, Elif, Aslan, Rukiye, Sayın, Koray, Tüzün, Burak, Ataseven, Hilmi

“…Newly designed nicotinamide derivatives were synthesized and characterized using spectral techniques (IR, 1 H-NMR, 13 C-NMR, and MS). Moreover, these compounds…”
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Supramolecular clumps of μ2-1,3-acetate bridges of Cd(II)-Salen complex: Synthesis, spectroscopic characterization, crystal structure, DFT quantization's, and antifungal photodynamic therapy by Majumdar, Dhrubajyoti, Philip, Jessica Elizabeth, Gassoumi, Bouzid, Ayachi, Sahbi, Abdelaziz, Balkis, Tüzün, Burak, Roy, Sourav

“…The article divulges the crystal growth, synthesis, and X-ray structure characterization of one centrosymmetric cadmium complex, [Cd{CdL(μ2-1,3-acetate)}2]…”
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Two adamantan-1-amine-based scaffolds: Synthesis, crystallographic synthons, TD/DFT calculations, in-depth molecular docking/ADME/T simulations, and shedding light on antibacterial/fungal activities by Majumdar, Dhrubajyoti, Elizabeth Philip, Jessica, Tüzün, Burak, Sutradhar, Dipankar, Roy, Sourav

“…This work synthesized and structurally characterized the two adamantan-1-amine-based compounds, C10H18N2O3 (1) and C21H23NO (2), reacting with…”
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Synthesis, Biological Properties, and Molecular Docking Study of Novel 1,2,3-Triazole-8-quinolinol Hybrids by El Faydy, Mohamed, Lakhrissi, Loubna, Dahaieh, Naoufel, Ounine, Khadija, Tüzün, Burak, Chahboun, Nabila, Boshaala, Ahmed, AlObaid, Abeer, Warad, Ismail, Lakhrissi, Brahim, Zarrouk, Abdelkader

“…A new series of 1,2,3-triazole-8-quinolinol hybrids were synthesized in good yields using monosubstituted acetonitriles and 5-azidomethyl-8-quinolinol as the…”
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Reinvigorate the synthesis, spectroscopic findings, SEM morphology investigation, and antimicrobial silhouette of contemporary Salen ligands: A comprehensive DFT landscape by Majumdar, Dhrubajyoti, Elizabeth Philip, Jessica, Roy, Sourav, Tüzün, Burak

“…[Display omitted] •Trendy Salen ligands were synthesized and structurally characterized.•Molecular geometry was optimized using B3LYP, HF, and M062X…”
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In vitro and in silico evaluation of the antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners by Chalkha, Mohammed, Chebbac, Khalid, Nour, Hassan, Nakkabi, Asmae, El Moussaoui, Abdelfattah, Tüzün, Burak, Bourhia, Mohammed, Chtita, Samir, Bakhouch, Mohamed, Laaroussi, Hamid, Kawsar, Sarkar M.A., Ben Hadda, Taibi, Al Houari, Ghali, Augustyniak, Maria, Aboul-Soud, Mourad A.M., El Yazidi, Mohamed

“…[Display omitted] •The in vitro antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners were carried out.•Some spiro-compounds represent…”
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Integrative in silico evaluation of the antiviral potential of terpenoids and its metal complexes derived from Homalomena aromatica based on main protease of SARS-CoV-2 by Goswami, Ashis Kumar, Aboul-Soud, Mourad A. M., Gogoi, Neelutpal, El-Shazly, Mohamed, Giesy, John P., Tüzün, Burak, Aziz, Ibrahim M., Almajhdi, Fahad N., Sharma, Hemanta Kumar

“…Substantial research is currently conducted focusing on the development of promising antiviral drugs employing screening and drug repurposing strategies…”
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