Browsing by Author "Ercan, Selami"
Now showing items 1-14 of 14
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Amelioration potential of synthetic oxime chemical cores against multiple sclerosis and Alzheimer's diseases: Evaluation in aspects of in silico and in vitro experiments
Yılmaz, Anıl; Koca, Murat; Ercan, Selami; Acar, Özden Özgün; Boğa, Mehmet; Şen, Alaattin; Kurt, Adnan (Elsevier B.V., 2024)Alzheimer disease (AD) and multiple sclerosis (MS) are inflammatory neurological disorders. The main symptom of AD is dementia, and the main symptoms of MS are vertigo, sexual dysfunction, cognitive problems, and fatigue. ... -
The anticholinesterase perspective of dimethoxyindole based benzenesulfonamides: Synthesis, biological investigation and molecular docking applications
Bingül, Murat; Ercan, Selami; Boǧa, Mehmet; Arslan, Zehra; Tuneğ, Muhammed; Akocak, Süleyman; Bingül, Alev Arslantürk; Şengül, İbrahim Fazıl; Şahin, Hasan (John Wiley and Sons Inc., 2024)Due to the well-known biological potential of benzenesulfonamides for the inhibition of specific enzymes, here in, we propose to investigate anticholinesterase efficiencies of five newly synthesized benzenesulfonamides ... -
Antioxidant and anticholinesterase potentials of novel 4,6-dimethoxyindole based unsymmetrical azines: Synthesis, molecular modeling, in silico ADME prediction and biological evaluations
Bingül, Murat; Ercan, Selami; Boğa, Mehmet; Bingül, Alev Arslantürk (Taylor and Francis Ltd., 2023)Chemically and biologically important -C = N-N = C- diimine linkage was used to build unsymmetrical azine systems with indole heterocyclic backbone and substituted aromatic carbaldehydes. Ten novel compounds 7a-j were ... -
Computational design of a full-length model of HIV-1 integrase: modeling of new inhibitors and comparison of their calculated binding energies with those previously studied
Ercan, Selami; Pirinccioglu, Necmettin (Springer, 2013)A full-length model of integrase (IN) of the human immunodeficiency virus type 1 (HIV-1) was constructed based on the distinctly resolved X-ray crystal structures of its three domains, named N-terminal, catalytic core and ... -
The design of novel 4,6-dimethoxyindole based hydrazide- hydrazones: Molecular modeling, synthesis and anticholinesterase activity
Bingul, Murat; Ercan, Selami; Boga, Mehmet (Elsevier, 2020)Biologically important hydrazide-hydrazone (e(C 1/4O)NHN 1/4 CH) functionality was located at two different positions on 4,6-dimethoxyindole moiety and novel compounds 11a-c and 12a-c were generated by the condensation ... -
Design, preparation and application of a Pirkle-type chiral stationary phase for enantioseparation of some racemic organic acids and molecular dynamics studies
Cakmak, Resit; Ercan, Selami; Sunkur, Murat; Yilmaz, Hayrullah; Topal, Giray (Acg Publications, 2017)This study consists of two parts. In the first part of the study; a Pirkle-type chiral stationary phase was prepared by synthesizing an aromatic amine derivative of (R)-2-amino-1-butanol as a chiral selector and binding ... -
Designing new drug candidates as inhibitors against wild and mutant type neuraminidases: molecular docking, molecular dynamics and binding free energy calculations
Kurt, Murat; Ercan, Selami; Pirinccioglu, Necmettin (Taylor & Francis Inc, 2023)Influenza virus is the cause of the death of millions of people with about 3-4 pandemics every hundred years in history. It also turns into a seasonal disease, bringing about approximately 5-15% of the population to be ... -
Experimental and theoretical study of the mechanism of hydrolysis of substituted phenyl hexanoates catalysed by globin in the presence of surfactant
Ercan, Selami; Arslan, Nevin; Kocakaya, Safak Ozhan; Pirinccioglu, Necmettin; Williams, Andrew (Springer, 2014)The bimolecular rate constants for the globin-and alkali-catalysed hydrolysis of substituted phenyl hexanoates in the absence and presence of cetyltrimethylammonium bromide (CTAB) obey Bronsted equations with beta(1g)=-0.53 ... -
A facile synthesis of amide-based receptors under microwave conditions: investigation of their anion recognition properties by experimental and computational tools
Ozturk, Gulsen; Subari, Salih; Seker, Sevil; Togrul, Mahmut; Kocakay, Safak Ozhan; Ercan, Selami; Pirinccioglu, Necmettin (Springer, 2017)Two novel amide-based receptors were synthesized under microwave irradiation. Their chemical structures were confirmed by IR, H-1 NMR, C-13 NMR, and elemental analysis. The binding properties of these amide-based receptors ... -
Hesaplamalı kimya destekli anti-HIV ilaç tasarımı
Ercan, Selami (2016)Dünya nüfusunu büyük oranda tehdit eden AIDS (Acquired Immune Deficiency Syndrome) hastalığına neden olan HIV-1 (Human Immunodeficiency Virus Type-1) virüsüdür. HIV-1 integraz virüs hayat döngüsünde önemli roller alan üç ... -
Hesaplamalı kimya destekli anti-influenza nöraminidaz ilaç tasarımı
Kurt, Murat (Dicle Üniversitesi, Fen Bilimleri Enstitüsü, 2022)İnfluenza, halk arasında grip olarak bilinen, influenza virüslerinin sebep olduğu, bulaşıcı ve ölümcül bir hastalıktır. İnfluenza virüsü tarihte her yüz yılda yaklaşık 3-4 pandemi, 4-5 epidemi, oluşturarak milyonlarca ... -
Investigation of angucycline compounds as potential drug candidates against SARS Cov-2 main protease using docking and molecular dynamic approaches
Al-Bustany, Hazem Abbas; Ercan, Selami; İnce, Ebru; Pirinççioğlu, Necmettin (Springer, 2021)The emerged Coronavirus disease (COVID-19) causes severe or even fatal respiratory tract infection, and to date there is no FDA-approved therapeutics or efective treatment available to efectively combat this viral infection. ... -
Proline-based organocatalyst-mediated asymmetric aldol reaction of acetone with substituted aromatic aldehydes: An experimental and theoretical study
Arslan, Nevin; Ercan, Selami; Pirinççi̇oğlu, Necmettin (TUBITAK, 2020)This work involves a facile synthesis of three (S)-proline-based organocatalysts with C2 symmetry and their effects in enantioselective aldol reaction of acetone with substituted aromatic aldehydes. Moderate enantioselectivities ... -
Towards a better understanding of commonly used medicinal plants from Turkiye: Detailed phytochemical screening and biological activity studies of two Teucrium L. species with in vitro and in silico approach
Ersoy, Ezgi; Süvari, Goncagül; Ercan, Selami; Özkan, Esra Eroğlu; Karahan, Selim; Tuncay, Evin Aygün; Boğa, Mehmet (Elsevier Ireland Ltd., 2023)Ethnopharmacological relevance: Since ancient times, Teucrium L. species have been among the most commonly used traditional medicinal plants mainly in the Mediterranean region. From tackling gastrointestinal problems to ...
