Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors

• Main Authors: V. Prachayasittikul, A. Worachartcheewan, A. P. Toropova, A. A. Toropov, N. Schaduangrat, C. Nantasenamat
• Other Authors: Mahidol University
• Format: Article
• Published: 2018
• Subjects: Biochemistry, Genetics and Molecular Biology; Chemical Engineering
• Online Access: https://repository.li.mahidol.ac.th/handle/123456789/42038

© 2017 Informa UK Limited, trading as Taylor & Francis Group. P-glycoprotein (Pgp) inhibition has been considered as an effective strategy towards combating multidrug-resistant cancers. Owing to the substrate promiscuity of Pgp, the classification of its interacting ligands is not an easy task...