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

• Main Authors: Petar Žuvela (Author), J. Jay Liu (Author), Myunggi Yi (Author), Paweł P. Pomastowski (Author), Gulyaim Sagandykova (Author), Mariusz Belka (Author), Jonathan David (Author), Tomasz Bączek (Author), Krzysztof Szafrański (Author), Beata Żołnowska (Author), Jarosław Sławiński (Author), Claudiu T. Supuran (Author), Ming Wah Wong (Author), Bogusław Buszewski (Author)
• Format: Book
• Published: Taylor & Francis Group, 2018-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...