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Artificial Itelligence Teaches Drugs to Target Proteins by Tackling the Induced Folding Problem
(American Chemical Society, 2020-06-17)
We explore the possibility of a deep learning (DL) platform that steers drug design to target proteins by inducing binding-competent conformations. We deal with the fact that target proteins are usually not fixed targets ...
ABC transporters in extrahepatic tissues: Pharmacological regulation in heart and intestine
(Bentham Science Publishers, 2019-01)
ATP binding cassette (ABC) transporters are transmembrane proteins expressed in secretory epithelia like the liver, kidneys and intestine, in the epithelia exhibiting barrier function such as the blood-brain barrier and ...
Structural basis for inhibition of cyclin-dependent kinase 9 by flavopiridol
(2002-07-08)
Flavopiridol has been shown to potently inhibit CDK1 and 2 (cyclin-dependent kinases 1 and 2) and most recently it has been found that it also inhibits CDK9. The complex CDK9-cyclin T1 controls the elongation phase of ...
Structural basis for inhibition of cyclin-dependent kinase 9 by flavopiridol
(2002-07-08)
Flavopiridol has been shown to potently inhibit CDK1 and 2 (cyclin-dependent kinases 1 and 2) and most recently it has been found that it also inhibits CDK9. The complex CDK9-cyclin T1 controls the elongation phase of ...
Binding of fluorescent dansyl amino acids in albumin: When access to the protein cavity is more important than the strength of binding
(2021-04-01)
Human serum albumin (HSA) is the primary drug carrier protein in the blood plasma. To perform this task, it has two cavities (sites I and II) where the pharmaceutical drugs can be bound. Dansyl amino acids are fluorescent ...
3d similarities between the binding sites of monoaminergic target proteins
(2018)
The study of binding site similarities can be relevant to understand the interaction of different drugs at several molecular targets. The increasing availability of protein crystal structures and the development of novel ...