Konu "Molecular docking" için listeleme
Toplam kayıt 46, listelenen: 21-40
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New chalcone derivatives with Schiff base-thiophene: Synthesis, biological activity, and molecular docking studies
(Maik Nauka/Interperiodica/Springer, 2019)New thiophene chalcones 3, 6 and thiophene Schiff base-chalcone derivatives 4a-4d, 7a-7d are synthesized. Structures of the compounds are confirmed by H-1 and C-13 NMR, and IR spectra. According to antimicrobial and ... -
New pyrimidine-N-β-D-glucosides: synthesis, biological evaluation, and molecular docking investigations
(Scientific Technical Research Council Turkey, TÜBİTAK, 2023)In this study, syntheses of new pyrimidine-coupled N-beta-glucosides and tetra-O-acetyl derivatives were carried out. All glycoconjugates were investigated in comparison with known chemotherapeutic agents in terms of their ... -
Paeoniflorigenone purified from Paeonia daurica roots potently inhibits viral and bacterial DNA polymerases: investigation by experimental validation and docking simulation
(Springer Birkhauser, 2019)The methanolic extracts from fruit, leaf, stem and roots of Paeonia daurica subsp. macrophylla (P. daurica) were investigated for inhibitory effect on replicative bacterial (PolC and DnaE2) and viral (MMLV-RT from Moloney ... -
Physical-chemical studies of new, versatile carbazole derivatives and zinc complexes: Their synthesis, investigation of in vitro inhibitory effects on alpha-glucosidase and human erythrocyte carbonic anhydrase I and II isoenzymes
(Wiley, 2022)In this study, two novel zinc-phthalocyanine complexes (4a and 6a), containing carbazole rings, were investigated. The first phthalocyanine 4a has been synthesized from 4-(2-(3-acetyl-9H-carbazol-9-yl)ethoxy at the peripheral ... -
Piperazine-azole-fluoroquinolone hybrids: Conventional and microwave irradiated synthesis, biological activity screening and molecular docking studies
(Academic Press Inc Elsevier Science, 2019)A series of new 1,2,4-triazole and 1,3,4-oxadiazole derivatives was obtained via several steps sequential reactions of phenyl piperazine. Then, these compounds were converted to the corresponding fluoroquinolone hybrids ... -
Potential therapeutic effect of turmeric contents against SARS-CoV-2 compared with experimental COVID-19 therapies: in silico study
(Taylor & Francis Inc, 2020)Inspired by the 'There is no scientific evidence that turmeric prevents COVID-19' statement made by WHO, the protective or therapeutic potential of the compounds in turmeric contents was investigated against COVID-19 with ... -
A simple and efficient synthesis of novel inhibitors of alpha-glucosidase based on benzimidazole skeleton and molecular docking studies
(Academic Press Inc Elsevier Science, 2016)A novel series of benzimidazole derivatives were prepared starting from o-phenylenediamine and 4-nitro-o-phenylenediamine with iminoester hydrochlorides. Acidic proton in benzimidazole was exchanged with ethyl bromoacetate, ... -
Some characteristics of new and innovative COX inhibitor derivatives: Potent hCA-I and hCA-II inhibitors supported by molecular docking studies
(John & Wiley Ltd., 2022)In this study, two novel metallophthalocyanines (ZnPc and CoPc) were synthesized using the corresponding metal salts 4-(4-(4-[4-chlorophenyl]-5-methylisoxazol-3-yl)phenoxy)-phthalonitrile (11), prepared from the reaction ... -
Stereo- and Regio-selective benzo- and Benzohalo-conduritols: Anti-diabetes & anti-tumor activity investigation, kinetic and molecular docking studies
(Elsevier, 2023)In this study, benzoconduritols, benzohalogenoconduritol, and benzodihalogenoconduritols with conduritol-A and –C structures from oxo-norbornene derivative endo-10 b, exo-11 b cleavaged by Lewis acids (BBr3, BCl3, BF3· ... -
Structural, spectral, bioactivity, antioxidant and molecular docking (with SARS-CoV-2) analyses on a new synthesized thiosemicarbazide derivative
(Natl Inst Science Communication & Information Resources-Niscair, 2022)Spectroscopic characterization of the N'-(4-nitrophenylcarbonothioyl) nicotinohydrazide molecule has been studied using both experimental (X-ray diffraction and IR spectroscopy) and quantum mechanical methods. The tautomeric ... -
Structure-based hybridization, conventional and microwave irradiated synthesis, biological evaluation and molecular docking studies of new compounds derived from thiomorpholin
(Bentham Science Publ Ltd, 2017)Background: the amine 2 obtained via two steps starting from thiomorpholine was converted into the corresponding 1,3-thiazole (4), arylmethileneamino (5a- d) and hydrazide (7) derivatives using conventional and also microwave ... -
Synthesis and anticancer activities of some new coumarin derivatives including the triazole ring and their in silico molecular docking studies
(Wiley-V C H Verlag Gmbh, 2020)The synthesis, docking study, and investigation of the anticancer activities of some coumarin derivatives containing the triazole ring are reported in this study. the newly synthesized compounds were screened for their in ... -
Synthesis and docking studies of novel benzimidazole derivatives containing thiophene and triazole rings as potential urease inhibitors
(Springer, 2022)Abstract: A new series of 5,6-dichloro-benzimidazoles containing thiophene ring derivatives of thiosemicarbazides and triazoles were designed, synthesized and characterized by spectral methods like as IR, 1H-NMR, 13C-NMR ... -
Synthesis and in vitro urease inhibition of some novel benzimidazole-based hydrazones
(Wiley, 2019)A novel series of N '-(substituted benzylidene)-2-(5,6-dichloro-2-methyl-1H-benzimidazol-1-yl)acetohydrazides and N '-(1-(substituted phenyl)ethylidene)-2-(5,6-dichloro-2-methyl-1H-benzimidazol-1-yl)acetohydrazides were ... -
Synthesis and molecular docking studies of potent urease inhibitors based on benzoxazole scaffold
(Wiley-V C Verlag GMBH, 2021)In this study, we report the synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzoxazole derivatives. The title compound in the series namely (2-(benzo[d]oxazol-2-ylthi ... -
Synthesis and molecular docking studies of some novel antimicrobial benzamides
(Academic Press Inc Elsevier Science, 2020)Common use of classical antibiotics has caused to the growing emergence of many resistant strains of pathogenic bacteria. Therefore, we aimed to synthesize a number of N-(2-hydroxy-(4 or 5)-nitrophenyl)benzamide derivatives ... -
Synthesis of novel Azol-beta-lactam derivatives starting from phenyl piperazine and investigation of their antiurease activity and antioxidant capacity comparing with their molecular docking studies
(Elsevier Science Bv, 2019)This study reports the synthesis, biological investigation and molecular docking of novel beta-lactam derivatives bearing 1,3,4-thiadiazole and 1,3,4-oxadiazole ring system. the synthesized compounds were evaluated for in ... -
Synthesis of novel carbazole hydrazine-carbothioamide scaffold as potent antioxidant, anticancer and antimicrobial agents
(BioMed Central Ltd., 2024)Background: Carbazole-based molecules containing thiosemicarbazide functional groups are recognized for their diverse biological activities, particularly in enhancing therapeutic anticancer effects through inhibiting crucial ... -
Synthesis of novel thiosemicarbazone derivatives as antidiabetic agent with enzyme kinetic studies and antioxidant activity
(Taylor & Francis Ltd., 2022)Novel thiosemicarbazone derivatives were synthesized via condensation reactions between the corresponding thiosemicarbazides and 4-(methylsulfonyl)acetophenone. The chemical structures of all compounds were elucidated by ... -
Synthesis of some novel quinazolin-4(3H)-one hybrid molecules as potent urease inhibitors
(Wiley-V C H Verlag Gmbh, 2018)A new series of quinazolinone hybrid molecules containing coumarin, furan, 1,2,4-triazole and 1,2,4-thiadiazole rings was designed, synthesized, and screened for their urease inhibition activities. All newly synthesized ...