Browsing by Author "Ece, Abdulilah"
Now showing items 1-20 of 22
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2.Computer-aided drug design symposium and workshop abstract book
Ece, Abdulilah; Sheridan, Helen (Biruni Üniversitesi, 2022)The focus of the symposium is to bring together academia and industry with an interest in the validation of novel biomolecule targets to treat disease with an unmet clinical need and in applying computational technologies ... -
Bioactive indanes: insight into the bioactivity of indane dimers related to the lead anti-inflammatory molecule PH46A
Chan, Kit; Frankish, Neil; Zhang, Tao; Ece, Abdulilah; Cannon, Aoife; O’Sullivan, Jacintha; Sheridan, Helen (Royal Pharmaceutical Society, 16.04.2020)Objectives PH46A (1) demonstrates significant anti-inflammatory activity in phenotypic models but its mechanism and site of action have been elusive. Current study focused on the bioactivity of PH46 (2) and related novel ... -
A computational insight into acetylcholinesterase inhibitory activity of a new lichen depsidone
Ece, Abdulilah; Pejin, Boris (Taylor & Francis Ltd, 2015)Acetylcholinesterase (AChE) inhibitors are yet the best drugs currently available for the management of Alzheimer's disease. The recent phytochemical investigation has led to the isolation of a new depsidone 1 with moderate ... -
Design, synthesis and molecular modelling studies of some pyrazole derivatives as carbonic anhydrase inhibitors
Dizdaroğlu, Yazgı; Albay, Canan; Arslan, Tayfun; Ece, Abdulilah; Türkoğlu, Emir A.; Efe, Asiye; Şentürk, Murat; Supuran, Claudiu T.; Ekinci, Deniz (Taylor & Francis, 04.12.2019)In this study, newly synthesised compounds 6, 8, 10 and other compounds (1–5, 7 and 9) and their inhibitory properties against the human isoforms hCA I and hCA II were reported for the first time. Compounds 1–10 showed ... -
Design, synthesis, characterization, in vitro and in silico evaluation of novel imidazo[2,1-b][1,3,4]thiadiazoles as highly potent acetylcholinesterase and non-classical carbonic anhydrase inhibitors
Aşkın, Sercan; Tahtacı, Hakan; Türkeş, Cüneyt; Demir, Yeliz; Ece, Abdulilah; Akalın-Çiftçi, Gülşen; Beydemir, Şükrü (Elsevier, 08.2021)Imidazole and thiadiazole derivatives display an extensive application in pharmaceutical chemistry, and they have been investigated as bioactive molecules for medicinal chemistry purposes. Classical carbonic anhydrase (CA) ... -
Design, synthesis, SAR and molecular modeling studies of novel imidazo [2,1-b][1,3,4] thiadiazole derivatives as highly potent antimicrobial agents
Tahtacı, Hakan; Karacık, Hatice; Ece, Abdulilah; Er, Mustafa; Şeker, Mine Gül (WILEY, 2018)In this study, a novel series of phenyl substituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized, characterized and explored for antibacterial activity against Gram-negative Escherichia coli, Gram-positive ... -
E-pharmacophore based virtual screening for identification of dual specific PDE5A and PDE3A inhibitors as potential leads against cardiovascular diseases
Maryam, Arooma; Khalid, Rana Rehan; Siddiqi, Abdul Rauf; Ece, Abdulilah (Informa UK Limited, 17.04.2020)The need of circumventing life-threatening cardiovascular disorders (CVDs) and pulmonary hypertension (PHT) worldwide prompts researchers to develop effective therapeutic agents. Crucial role of cyclic nucleotide ... -
E-pharmacophore mapping combined with virtual screening and molecular docking to identify potent and selective inhibitors of P90 Ribosomal S6 Kinase (RSK)
Ece, Abdulilah (Turkish Pharmacists Association, 2016)The P90 ribosomal S6 kinases (RSK) are a family of serine/threonine protein kinases and are shown to be involved in cancer cell proliferation. The lack of highly selective inhibitors and also the lack of structural information ... -
Experimental and theoretical studies on tautomeric structures of a newly synthesized 2,2'(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene)) diphenol
Karakurt, Tuncay; Çukurovalı, Alaaddin; Subaşı, Nuriye Tuna; Onaran, Abdurrahman; Ece, Abdulilah; Eker, Sıtkı; Kanı, İbrahim (Elsevier Science Bv., 2018)In the present study, a single crystal of a Schiff base, 2,2'(hydrazine-1,2-diylidenebis(propan-1-yl-1-ylidene)) diphenol, was synthesized. The structure of the synthesized crystal was confirmed by H-1 and C-13 NMR ... -
Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Ia through computational modelling and molecular dynamics simulations
Maryam, Arooma; Khalid, Rana Rehan; Vedithi, Sundeep Chaitanya; Ece, Abdulilah; Çınaroğlu, Süleyman Selim; Siddiqi, Abdul Rauf; Blundell, Tom L. (Elsevier, 2020)Protein kinase Ia (PKGIa) is a pivotal cyclic guanosine monophosphate (cGMP) signalling protein. Major steps related to the structural plasticity of PKGIa have been inferred but the structural aspects of the auto-inhibition ... -
In vitro antibacterial and antifungal activity and computational evaluation of novel indole derivatives containing 4-substituted piperazine moieties
Altuntaş, Tunca Gül; Yılmaz, Nilüfer; Ece, Abdulilah; Altanlar, Nurten; Ölgen, Süreyya (Bentham Science Publ Ltd, 2018)Background: Lack of specificity and occurence of resistance to current antibacterial and antifungal agents are major shortcomings for the treatment of microbial diseases. Finding novel antimicrobial agents is therefore ... -
An integrated approach towards the development of novel antifungal agents containing thiadiazole: synthesis and a combined similarity search, homology modelling, molecular dynamics and molecular docking study
Er, Mustafa; Abounakhla, Abdulati Miftah; Tahtacı, Hakan; Bawah, Ali Hasin; Çınaroğlu, Süleyman Selim; Onaran, Abdurrahman; Ece, Abdulilah (Springeropen, 2018)BackgroundThis study aims to synthesise and characterise novel compounds containing 2-amino-1,3,4-thiadiazole and their acyl derivatives and to investigate antifungal activities. Similarity search, molecular dynamics and ... -
New bis and tetrakis 1,2,3 triazole derivatives synthesis, DNA cleavage, molecular docking, antimicrobial, antioxidant activity and acid dissociation constants
Nural, Yahya; Özdemir, Sadin; Yalçın, Mustafa Serkan; Demir, Bünyamin; Atabey, Hasan; Seferoğlu, Zeynel; Ece, Abdulilah (Elsevier, 2022)In this study, a series of bis– and tetrakis–1,2,3–triazole derivatives were synthesized using copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry in 73–95% yield. The bis– and tetrakis–1,2,3–triazoles ... -
Novel imidazo[2,1-b]thiazole-based anticancer agents as potential focal adhesion kinase inhibitors: Synthesis,in silico and in vitro evaluation
Başoğlu, Faika; Ulusoy-Güzeldemirci, Nuray; Akalın-Çiftçi, Gülşen; Çetinkaya, Serap; Ece, Abdulilah (Wiley, 08.2021)The purpose of this study was to synthesize imidazo[2,1-b]thiazole derivatives, characterize them with spectroscopical techniques and investigate for cytotoxic and apoptotic effects on glioma C6 cancer cell line. The in ... -
Novel urea-thiourea hybrids bearing 1,4-naphthoquinone moiety: Anti-inflammatory activity on mammalian macrophages by regulating intracellular PI3K pathway, and molecular docking study
Efeoğlu, Çağla; Yetkin, Derya; Nural, Yahya; Ece, Abdulilah; Seferoğlu, Zeynel; Ayaz, Furkan (Elsevier, 15.09.2022)In this study, four novel urea-thiourea hybrids bearing 1,4-naphthoquinone moiety were synthesized by the reaction of 2,3-diaminonaphthalene-1,4-dione and various isothiocyanate derivatives in 75–88% yield, and their ... -
Quinazolinone-based benzenesulfonamides with low toxicity and high affinity as monoamine oxidase-A inhibitors: Synthesis, biological evaluation and induced-fit docking studies
Yamalı, Cem; Gül, Halise İnci; Tuğrak Sakarya, Mehtap; Nurpelin Sağlık, Begüm; Ece, Abdulilah; Demirel, Göksun; Nenni, Merve; Levent, Serkan; Öner, Ahmet Cihat (Academic Press, 08.2022)The research in selective monoamine oxidases (MAO-A and MAO-B) inhibitors has been increased due to their therapeutic value for neurodegenerative diseases. In this study, 4-((2-(aryl)-4-oxoquinazolin-3(4H)-yl)amino)benze ... -
Synthesis, biological evaluation and in silico modelling studies of 1,3,5- trisubstituted pyrazoles carrying benzenesulfonamide as potential anticancer agents and selective cancer-associated hCA IX isoenzyme inhibitors
Yamalı, Cem; Gül, Halise İnci; Ece, Abdulilah; Bua, Silvia; Angeli, Andrea; Sakagami, Hiroshi; Şahin, Ertan; Supuran, Claudiu T. (Elsevier B.V., 2019)Inhibition of carbonic anhydrases (CAs, EC 4.2.1.1) has clinical importance for the treatment of several diseases. They participate in crucial regulatory mechanisms for balancing intracellular and extracellular pH of the ... -
Synthesis, characterization, preliminary SAR and molecular docking study of some novel substituted imidazo [2,1-b] [1,3,4] thiadiazole derivatives as antifungal agents
Er, Mustafa; Ergüven, Buğracan; Tahtacı, Hakan; Onaran, Abdurrahman; Karakurt, Tuncay; Ece, Abdulilah (Springer Birkhauser, 2017)The aim of this study was to synthesize imidazo [2,1-b] [1,3,4] thiadiazole derivatives, characterize them with various spectroscopic methods and investigate their antifungal activities. 2- Imino - 1,3,4 - thiadiazole ... -
Synthesis, molecular modeling, and biological evaluation of 4-[5-aryl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides toward acetylcholinesterase, carbonic anhydrase I and II enzymes
Yamalı, Cem; Gül, Halise İnci; Ece, Abdulilah; Taslimi, Parham; Gülçin, İlhami (WILEY, 2018)In this study, 4-[5-aryl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides were synthesized, and inhibition effects on AChE, hCA I, and hCA II were evaluated. K-i values of the compounds toward hCA I were ... -
Synthesis, structural characterization, and antiproliferative/cytotoxic effects of a novel modified poly (maleic anhydride-co-vinyl acetate) doxorubicin conjugate
Karakuş, Gülderen; Ece, Abdulilah; Yağlıoğlu, Ayşe Şahin; Zengin, Hacı Bayram; Karahan, Mesut (Springer, 2017)Drug carrier, poly(maleic anhydride-co-vinyl acetate) (MAVA or poly[MA-co-VA]) copolymer, was traditionally synthesized by free radical chain polymerization reaction, in methyl ethyl ketone (MEK) organic media at 80 A ...
