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Recent Submissions
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Novel urea-thiourea hybrids bearing 1,4-naphthoquinone moiety: Anti-inflammatory activity on mammalian macrophages by regulating intracellular PI3K pathway, and molecular docking study
(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
(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 ... -
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
(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) ... -
Novel imidazo[2,1-b]thiazole-based anticancer agents as potential focal adhesion kinase inhibitors: Synthesis,in silico and in vitro evaluation
(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 ... -
Synthesis, biological evaluation, molecular docking, and acid dissociation constant of new bis-1,2,3-triazole compounds
(Wiley, 27.07.2021)In this study, new bis-1,2,3-triazole derivatives, N,N′-(1,3-phenylene)bis(2-(4-R-1H-1,2,3-triazol-1-yl)acetamide), were synthesized by copper-catalyzed azide-alkyne cycloaddition click chemistry in 84–96 % yield. A wide ... -
Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Ia through computational modelling and molecular dynamics simulations
(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 ... -
Epichlorohydrin and tripolyphosphate-crosslinked chitosan–kaolin composite for auramine o dye removal from aqueous solutions: experimental study and DFT calculations
(Elsevier, 28.02.2022)Chitosan (Ch, a natural polymer) and kaolin (K, a natural mineral) composite (Ch-K) was produced with the help of two crosslinkers, epichlorohydrin and tripolyphosphate, and then moulded into uniform beads in tripolyphosphate ... -
Computational drug repurposing: Current trends
(Bentham Science Publishers, 2019)Biomedical discovery has been reshaped upon the exploding digitization of data which can be retrieved from a number of sources, ranging from clinical pharmacology to cheminformatics-driven databases. Now, supercomputing ... -
Tirozin kinaz inhibitörü bileşiklerin tasarımı ve antikanser etki mekanizmaları
(Society of Pharmaceutical Sciences of Ankara (FABAD), 2021)Cancer is a complex disease that is caused by uncontrolled division and proliferation of cells and under the influence of genetic and conditions. There are more than 100 types of cancers known and standardized therapies ... -
Novel β hydroxy ketones synthesis, spectroscopic characterization, molecular docking, and anticancer activity studies
(Elsevier, 2022)In this study, a series of novel β–hydroxy ketone derivatives 3a-o were designed, synthesized, and evaluated for their anticancer activity. The structure of these compounds were characterized by IR, 1H and 13C NMR, mass ... -
New bis and tetrakis 1,2,3 triazole derivatives synthesis, DNA cleavage, molecular docking, antimicrobial, antioxidant activity and acid dissociation constants
(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 ... -
Probing the structural dynamics of the catalytic domain of human soluble guanylate cyclase
(Springer Nature, 11.07.2020)In the nitric oxide (NO) signaling pathway, human soluble guanylate cyclase (hsGC) synthesizes cyclic guanosine monophosphate (cGMP); responsible for the regulation of cGMP-specific protein kinases (PKGs) and phosphodiesterases ... -
Bioactive indanes: insight into the bioactivity of indane dimers related to the lead anti-inflammatory molecule PH46A
(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 ... -
E-pharmacophore based virtual screening for identification of dual specific PDE5A and PDE3A inhibitors as potential leads against cardiovascular diseases
(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 ... -
Drug repurposing in the development of anticancer agents
(Bentham Science Publ Ltd, 2019)Background: Research into repositioning known drugs to treat cancer other than the originally intended disease continues to grow and develop, encouraged in part, by several recent success stories. Many of the studies in ... -
Design, synthesis and molecular modelling studies of some pyrazole derivatives as carbonic anhydrase inhibitors
(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 ... -
A prospective overview of drug repurposing in drug discovery and development
(Bentham, 2019)The pursuit of approved drugs and unapproved drug candidates repurposing for novel clinical applications is an attractive strategy due to its speed and high efficiency. Most successful repurposing discoveries have been ... -
Anti-aging formulation of rosmarinic acid-loaded ethosomes and liposomes
(Taylor & Francis, 2019)Abstract The study was aimed to evaluate the effectiveness of rosmarinic acid (RA) loaded ethosomes (ETHs) and liposomes (LPs) when subjected to the transdermal application. RA-loaded ETHs and LPs were prepared, optimised, ... -
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
(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 ... -
A computational insight into acetylcholinesterase inhibitory activity of a new lichen depsidone
(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 ...
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