Wszystkie pola: Docking studies - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: Synthesis, characterization and docking studies of some novel xanthene derivatives
Autorzy:: Bhatt, Aditya H.
Shah, Viral R.
Rawal, Rakesh M.
Powiązania:: https://bibliotekanauki.pl/articles/1075739.pdf
Data publikacji:: 2019
Wydawca:: Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:: Antimicrobial activity
Docking studies
Hantzsch synthesis
Xanthene
Opis:: The synthesis of a novel xanthene derivatives bearing dimedone as an excellent precursor has been achieved by applying one pot three component Hantzsch type condensation. The newly synthesized compounds were characterized by spectral and elemental analyses. All synthesized compounds undergo docking studies and biological screening for antimicrobial activity against Gram-positive bacteria, Gram-negative bacteria and fungal species. Among all the tested compounds, it was found that compound 3c, 3d, 3g and 3h revealed better activities against the Gram-positive rather than the Gram-negative bacteria whereas results of docking studies revealed that compounds 3b, 3g and 3i showed best binding affinity towards ATP binding pocket of Human PIM1 kinase receptor through steric favorable and H-bond interactions.
Źródło:: World Scientific News; 2019, 118; 100-114
2392-2192
Pojawia się w:: World Scientific News
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 2.

Tytuł:: 4-(3-(2-amino-3,5-dibromophenyl)-1-(4-substitutedbenzoyl)-4,5-dihydro-1H-pyrazol-5-yl)benzonitrile as a novel anti-Inflammatory scaffold: synthesis, biological evaluation and docking studies
Autorzy:: Bharathi, R.
Santhi, N.
Powiązania:: https://bibliotekanauki.pl/articles/1075445.pdf
Data publikacji:: 2019
Wydawca:: Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:: anti-inflammatory
benzonitrile
pyrazoles
spectral IR
spectral NMR
Opis:: A new series, 4-(3-(2-amino-3,5-dibromophenyl)-1-(4-substitutedbenzoyl)-4,5-dihydro-1H-pyrazol-5-yl)benzonitrile (4a-h), were synthesized and evaluated for in vitro anti-inflammatory activities. The spectral (IR, NMR) and elemental analyses data of the product indicated the formation of new pyrazoles 4a-h. Compound 4e exhibited potent anti-inflammatory property about 85.45 % inhibitions. This value was compared with standard diclofenac sodium. Additionally, molecular docking increased our understanding of their receptor-ligand binding. These results demonstrated that pyrazole derivatives are potential inhibitors. Overall, the results suggest that the pyrazoles 4a-h is important lead compounds for the continuing battle against inflammation.
Źródło:: World Scientific News; 2019, 126; 148-162
2392-2192
Pojawia się w:: World Scientific News
Dostawca treści:: Biblioteka Nauki

Artykuł

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