Target-based drug discovery through inversion of quantitative structure-drug-property relationships and molecular simulation: CA IX-sulphonamide complexes

In this work, a target-based drug screening method is proposed exploiting the synergy effect of ligand-based and structure-based computer-assisted drug design. The new method provides great flexibility in drug design and drug candidates with considerably lower risk in an efficient manner. As a model...

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Dettagli Bibliografici
Pubblicato in:J Enzyme Inhib Med Chem
Autori principali: Žuvela, Petar, Liu, J. Jay, Yi, Myunggi, Pomastowski, Paweł P., Sagandykova, Gulyaim, Belka, Mariusz, David, Jonathan, Bączek, Tomasz, Szafrański, Krzysztof, Żołnowska, Beata, Sławiński, Jarosław, Supuran, Claudiu T., Wong, Ming Wah, Buszewski, Bogusław
Natura: Artigo
Lingua:Inglês
Pubblicazione: Taylor & Francis 2018
Soggetti:
Research Paper
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6151961/
https://ncbi.nlm.nih.gov/pubmed/30220229
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/14756366.2018.1511551
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