Deep learning driven de novo drug design based on gastric proton pump structures

Deep learning driven de novo drug design based on gastric proton pump structures

Abstract Existing drugs often suffer in their effectiveness due to detrimental side effects, low binding affinity or pharmacokinetic problems. This may be overcome by the development of distinct compounds. Here, we exploit the rich structural basis of drug-bound gastric proton pump to develop compou...

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Bibliographic Details
Main Authors: Kazuhiro Abe, Mami Ozako, Miki Inukai, Yoe Matsuyuki, Shinnosuke Kitayama, Chisato Kanai, Chiaki Nagai, Chai C. Gopalasingam, Christoph Gerle, Hideki Shigematsu, Nariyoshi Umekubo, Satoshi Yokoshima, Atsushi Yoshimori
Format: Article
Language:English
Published: Nature Portfolio 2023-09-01
Series:Communications Biology
Online Access:https://doi.org/10.1038/s42003-023-05334-8

Internet

https://doi.org/10.1038/s42003-023-05334-8

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