Design, synthesis, in silico ADMET, docking, and antiproliferative evaluations of [1,2,4]triazolo[4,3‐c]quinazolines as classical DNA intercalators
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DOI: 10.1002/ardp.202100412
Abstract: Eleven novel [1,2,4]triazolo[4,3‐c]quinazolines were designed, synthesized, and evaluated against HepG2 and HCT‐116 cells. The molecular design was performed to investigate the binding mode of the proposed compounds with the DNA active site. The data obtained… read more here.
Keywords: design synthesis; dna; silico admet; synthesis silico ... See more keywords
Design, synthesis, anticancer evaluation, and in silico ADMET analysis of novel thalidomide analogs as promising immunomodulatory agents
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DOI: 10.1039/d3ra00066d
Abstract: Immunomodulatory medications like thalidomide and its analogs prevent the production of some proinflammatory cytokines linked to cancer. A new series of thalidomide analogs were designed and synthesized in order to develop potential antitumor immunomodulatory agents.… read more here.
Keywords: design synthesis; synthesis anticancer; immunomodulatory agents; silico admet ... See more keywords
Design, Synthesis, In Silico ADMET Studies and Anticancer Activity of Some New Pyrazoline and Benzodioxole Derivatives.
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DOI: 10.17344/acsi.2021.7119
Abstract: A new series of 2-pyrazoline derivatives starting from substituted benzodioxole chalcones were designed and synthesized. IR and 1H NMR spectral data and elemental analysis were used to characterize the structures of the synthesized compounds. The… read more here.
Keywords: design synthesis; anticancer activity; silico admet; activity ... See more keywords
Antibacterial, Anticandidal, and Antibiofilm Potential of Fenchone: In Vitro, Molecular Docking and In Silico/ADMET Study
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DOI: 10.3390/plants11182395
Abstract: The aim of the present study is to investigate the effective antimicrobial and antibiofilm properties of fenchone, a biologically active bicyclic monoterpene, against infections caused by bacteria and Candida spp. The interactions between fenchone and… read more here.
Keywords: molecular docking; fenchone; silico; potential fenchone ... See more keywords