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Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra00722f
Abstract: The in silico study explores the structural behavior and binding affinities of 40 novel analogues of huperzine A. Novel NMDA receptor antagonists have been virtually identified by molecular docking, ADME/T and molecular dynamics simulation studies.
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Keywords:
docking adme;
adme molecular;
simulation studies;
molecular dynamics ... See more keywords
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Published in 2023 at "Current Bioactive Compounds"
DOI: 10.2174/1573407219666230512121913
Abstract: In recent years, 2-aminobenzothiazoles were reported as antibacterial, antihelmintic, antitumor, antimalarial, antiviral, analgesic and anti-inflammatory agents. The study aimed to explore new potential 2-aminobenzothiazoles as antibacterial and anthelmintic agents. A favorable two-step method was used…
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Keywords:
molecular docking;
biological evaluation;
synthesis adme;
adme molecular ... See more keywords