Konu "Molecular Docking" için Eczacılık Fakültesi listeleme
Toplam kayıt 19, listelenen: 1-19
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Assessment of the inhibitory effects and molecular docking of some sulfonamides on human serum paraoxonase 1
(Wiley, 2017)Paraoxonase-1 (PON1) is an organophosphate hydrolyzer and antiatherogenic enzyme. Due to the PON1's crucial functions, inhibitors and activators of PON1 must be known for pharmacological applications. In this study, we ... -
A benzothiazole/piperazine derivative with acetylcholinesterase inhibitory activity: Improvement in streptozotocin-induced cognitive deficits in rats
(Polish Acad Sciences Inst Pharmacology, 2017)Background: Acetylcholinesterase (AChE) inhibitors are frequently prescribed to mitigate the cognitive decline in Alzheimer's disease. Thus, we investigated the possible efficacy of the AChE inhibitor 2-[(6-Nitro-2-benzothiazolyl) ... -
A Comprehensive Study on Thiadiazole-Based Anticancer Agents Inducing Cell Cycle Arrest and Apoptosis/Necrosis Through Suppression of Akt Activity in Lung Adenocarcinoma and Glioma Cells
(Turkish Pharmacists Assoc, 2019)Objectives: Akt is considered as an attractive target for anticancer drug discovery and development and therefore extensive efforts have been devoted to the discovery of new potent anticancer agents targeting Akt. Materials ... -
Design, synthesis and biological evaluation of a new series of thiazolyl-pyrazolines as dual EGFR and HER2 inhibitors
(Elsevier Masson SAS, 2019)Epidermal growth factor receptor (EGFR, also known as HER1) and HER2, prominent members of receptor tyrosine kinase (RTK) superfamily, have been reported as diagnostic or prognostic markers in tumor progression. Based on ... -
Design, Synthesis, and Evaluation of a New Series of Thiazole-Based Anticancer Agents as Potent Akt Inhibitors
(MDPI, 2018)In an attempt to develop potent anticancer agents targeting Akt, new thiazole derivatives (1-10) were synthesized and investigated for their cytotoxic effects on A549 human lung adenocarcinoma, C6 rat glioma, and NIH/3T3 ... -
Design, synthesis, monoamine oxidase inhibition and docking studies of new dithiocarbamate derivatives bearing benzylamine moiety
(Academic Press Inc Elsevier Science, 2018)A new series of thirteen 2-[(4-fluorophenyl)(4-nitrobenzyl) amino]-2-oxoethyl-1-substituted-carbodithio ate derivatives (4a-4m) were synthesized and tested for their human monoamine oxidase A and B (hMAO-A and hMAO-B) ... -
Fighting Against Alzheimer's Disease: Synthesis of New Pyrazoline and Benzothiazole Derivatives as New Acetylcholinesterase and MAO Inhibitors
(Bentham Science Publ LTD, 2018)Background: Alzheimer's Disease (AD) is a complicated neurodegenerative disorder with a multifaceted pathogenesis. AD, characterized by gradual memory loss, falling in language ability and other cognitive deterioration, ... -
Gadolinium-based contrast agents: in vitro paraoxonase 1 inhibition, in silico studies
(Taylor & Francis LTD, 2019)Medications show their biological effects by interaction with enzymes, which have been known to play an essential role in the pathogenesis of many diseases. Inhibition or induction of drug metabolizing enzymes has an ... -
In silico Molecular Docking and ADME Studies of 1 3,4-Thiadiazole Derivatives in Relation to in vitro PON1 Activity
(Bentham Science Publ LTD, 2019)Background: Paraoxonase 1 (PON1) is a paraoxonase, arylesterase and lactonase associated with protection of lipoproteins and cell membranes against oxidative modification. Objective: Based on antioxidative properties of ... -
In vitro and in silico evaluation of new thiazole compounds as monoamine oxidase inhibitors
(Academic Press Inc Elsevier Science, 2019)New twenty compounds bearing thiazole ring (3a-3t) were designed and synthesized as monoamine oxidase (MAO) inhibitors. The fluorometric enzyme inhibition assay was used to determine the biological effects of synthesized ... -
Inhibition of Human Serum Paraoxonase-I with Antimycotic Drugs: In Vitro and In Silico Studies
(Humana Press Inc., 2019)Drugs show their pharmacological effects by inhibiting or activating enzymes. Therefore, enzyme inhibitors have an essential place in the drug design for numerous different sorts of diseases, i.e., cardiovascular, cancer, ... -
Investigation of the inhibitory effects of isoindoline-1,3-dion derivatives on hCA-I and hCA-II enzyme activities
(Elsevier B.V., 2019)Inhibition of carbonic anhydrase (CA) has emerged as a promising approach for the treatment of a variety of diseases such as glaucoma, epilepsy, obesity and cancer. As a result, the design of CA inhibitors (CAIs) is an ... -
A mechanistic investigation on anticholinesterase and antioxidant effects of rose (Rosa damascena Mill.)
(Elsevier Science BV, 2013)In the current study, neuroprotective effect of the essential oil and aromatic waters of rose was investigated by in vitro and in silico methods. The samples were tested for their inhibitory activity against acetylcholinesterase ... -
New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors
(Elsevier France-Editions Scientifiques Medicales Elsevier, 2016)Hydrazones and the piperidine ring containing compounds were considered as beneficial substrates in drug design. Therefore, this study was aimed at the synthesis of new benzoyl hydrazones derived from ethyl 4-oxopiperidi ... -
Novel imidazole derivatives as antifungal agents: Synthesis, biological evaluation, ADME prediction and molecular docking studies
(Taylor & Francis LTD, 2019)A series of 2-(substituteddithiocarbamoyl)-N-[4-((1H-imidazol-1-yl)methyl)phenyl]acetamide derivatives was designed and synthesized to combat the increasing incidence of drug-resistant fungal infections. All synthesized ... -
Potential inhibitors of human carbonic anhydrase isozymes I and II: Design, synthesis and docking studies of new 1,3,4-thiadiazole derivatives
(Pergamon-Elsevier Science LTD, 2017)In the last years, inhibition of carbonic anhydrase (CA) has emerged as a promising approach for pharmacologic intervention in a variety of disorders such as glaucoma, epilepsy, obesity, and cancer. As a consequence, the ... -
Synthesis and Antifungal Potential of Some Novel Benzimidazole-1,3,4-Oxadiazole Compounds
(MDPI, 2019)Discovery of novel anticandidal agents with clarified mechanisms of action, could be a rationalist approach against diverse pathogenic fungal strains due to the rise of resistance to existing drugs. In support to this ... -
Synthesis, biological evaluation and in silico studies of novel N-substituted phthalazine sulfonamide compounds as potent carbonic anhydrase and acetylcholinesterase inhibitors
(Academic Press Inc Elsevier Science, 2019)The synthesis, characterization and biological evaluation of a series of novel N-substituted phthalazine sulfonamide (5a-1) are disclosed. Phthalazines which are nitrogen-containing heterocyclic compounds are biologically ... -
Synthesis, molecular docking analysis and carbonic anhydrase I-II inhibitory evaluation of new sulfonamide derivatives
(NLM (Medline), 2019)New sulfonamide-hydrazone derivatives (3a-3n) were synthesized to evaluate their inhibitory effects on purified human carbonic anhydrase (hCA) I and II. The inhibition profiles of the synthesized compounds on hCA I-II ...