Konu "Molecular docking" için listeleme
Toplam kayıt 46, listelenen: 41-46
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Synthesis, antimicrobial activities, and molecular modeling studies of agents for the sortase a enzyme
(Wiley, 2024)Sortase A (SrtA) is an attractive target for developing new anti-infective drugs that aim to interfere with essential virulence mechanisms, such as adhesion to host cells and biofilm formation. Herein, twenty hydroxy, ... -
Synthesis, biological activities, antioxidant properties, and molecular docking studies of novel bis-schiff base podands as responsive chemosensors for anions
(Elsevier, 2022)In this study, bis-carbonyl podand (triethylene glycol bis(2-carbonylphenyl)ether) ( 1 ) was synthesized from the reaction of triethylene glycol dichloride with salicylaldehyde. Then, Schiff base podans ( 2 and 3 ) were ... -
Synthesis, biological evaluation and in silico studies of new pyrazoline derivatives bearing benzo[d]thiazol-2(3H)-one moiety as potential urease inhibitors
(Wiley, 2022)Novel pyrazoline derivatives containing benzo[d]thiazol-2(3H)-one moiety were synthesized and screened for their inhibitory properties against urease, a clinically important metabolic enzyme. In vitro enzyme inhibition ... -
Synthesis, in vitro urease inhibition and molecular docking studies of some novel quinazolin-4(3H)-one derivatives containing triazole, thiadiazole and thiosemicarbazide functionalities
(Academic Press Inc Elsevier Science, 2019)A new series of quinazolinone derivatives containing triazole, thiadiazole, thiosemicarbazide functionalities was synthesized and then screened for their in vitro urease inhibition properties. Most of the compounds showed ... -
Synthesis, molecular docking and biological evaluation of some benzimidazole derivatives as potent pancreatic lipase inhibitors
(Academic Press Inc Elsevier Science, 2018)In this study, a new series of benzimidazole and bisbenzimidazole derivatives were prepared via the reaction of iminoester hydrochlorides and o-phenylenediamines and then screened for their lipase inhibition properties. ... -
Synthesis, structural, spectral, antioxidant, bioactivity and molecular docking investigations of a novel triazole derivative
(Taylor & Francis Ltd., 2021)The structural, spectroscopic and electronic properties of 4-(4-nitrophenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione have been analyzed by using single crystal X-ray diffraction (SCXRD), H-1 and C-13 NMR ...