Synthesis, antimicrobial evaluation, ADMET prediction, molecular docking and dynamics studies of pyridine and thiophene moiety-containing chalcones
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DOI: 10.1098/rsos.241411
Abstract: In this study, three pyridine- and four thiophene-containing chalcone derivatives were synthesized via Claisen–Schmidt condensation reaction, where five derivatives were new. Different spectral analyses (IR, 1H NMR, HRMS) clarified the structures and these proposed compounds… read more here.
Keywords: molecular docking; prediction molecular; admet prediction; evaluation admet ... See more keywords
Computational Evaluation of ADMET Properties and Bioactive Score of Compounds from Encephalartos ferox
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DOI: 10.5530/pj.2020.12.187
Abstract: Infectious diseases continue to devastate the developing world by presenting high mortality and morbidity rates annually.1 Medicinal plants are the predominant sources of natural lead compounds used in drug discoveries and developments to combat the… read more here.
Keywords: score compounds; computational evaluation; admet properties; evaluation admet ... See more keywords