Synthesis, in vitro antifungal evaluation and docking studies of novel derivatives of imidazoles and benzimidazoles
Sign Up to like & getrecommendations! Published in 2019 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-019-02369-7
Abstract: A series of imidazole and benzimidazole derivatives was designed and prepared in good yields via convenient and efficient two steps synthetic route using readily available starting materials. The structures of the synthesized compounds and their… read more here.
Keywords: evaluation docking; studies novel; docking studies; vitro antifungal ... See more keywords
Design, synthesis, in vitro Evaluation and docking studies on dihydropyrimidine-based urease inhibitors.
Sign Up to like & getrecommendations! Published in 2017 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2017.07.003
Abstract: In our previous report, we have identified 3,4-dihydropyrimidine scaffold as promising class of urease inhibitor in a structure based virtual screen (SBVS) experiment. In present study, we attempted to optimize the scaffold by varying C-5… read more here.
Keywords: design synthesis; evaluation docking; urease inhibitors; docking studies ... See more keywords
Biological Evaluation and Docking Studies of Synthetic Oleanane-type Triterpenoids
Sign Up to like & getrecommendations! Published in 2018 at "ACS Omega"
DOI: 10.1021/acsomega.8b01034
Abstract: Saponins are potential wide-spectrum antitumor drugs, and copper(I) catalyzed azide–alkyne 1,3-dipolar cycloaddition is a suitable approach to synthesizing saponin-like compounds by regioselective glycosylation of the C2/C3 hydroxyl and C28 carboxylic groups of triterpene aglycones maslinic… read more here.
Keywords: evaluation docking; biological evaluation; docking studies; studies synthetic ... See more keywords
Evaluation of docking procedures reliability in affitins-partners interactions
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.1074249
Abstract: Affitins constitute a class of small proteins belonging to Sul7d family, which, in microorganisms such as Sulfolobus acidocaldarius, bind DNA preventing its denaturation. Thanks to their stability and small size (60–66 residues in length) they… read more here.
Keywords: docking models; reliability affitins; docking procedures; evaluation docking ... See more keywords
Synthesis, Biological Evaluation and Docking Studies of Ring-Opened Analogues of Ipomoeassin F
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27144419
Abstract: The plant-derived macrocyclic resin glycoside ipomoeassin F (Ipom-F) binds to Sec61α and significantly disrupts multiple aspects of Sec61-mediated protein biogenesis at the endoplasmic reticulum, ultimately leading to cell death. However, extensive assessment of Ipom-F as… read more here.
Keywords: synthesis biological; docking studies; opened analogues; biological evaluation ... See more keywords
Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems
Sign Up to like & getrecommendations! Published in 2022 at "Pharmaceuticals"
DOI: 10.3390/ph15020132
Abstract: DNA is a molecular target for the treatment of several diseases, including cancer, but there are few docking methodologies exploring the interactions between nucleic acids with DNA intercalating agents. Different docking methodologies, such as AutoDock… read more here.
Keywords: dna; docking machine; machine learning; evaluation docking ... See more keywords
Design, synthesis, biological evaluation and docking study of novel quinazoline derivatives as EGFR-TK inhibitors.
Sign Up to like & getrecommendations! Published in 2021 at "Future medicinal chemistry"
DOI: 10.4155/fmc-2020-0015
Abstract: Background: Quinazoline-based compounds have been proved effective in the treatment of cancers for years. Materials & methods: The structural features of several inhibitors of EGFR were integrated and quinazolines with a benzazepine moiety at the 4-position… read more here.
Keywords: quinazoline; design synthesis; evaluation docking; biological evaluation ... See more keywords