Contribution of Noncovalent Recognition and Reactivity to the Optimization of Covalent Inhibitors: A Case Study on KRasG12C

Author:

Péczka Nikolett12,Ranđelović Ivan3,Orgován Zoltán1,Csorba Noémi12,Egyed Attila1,Petri László1,Ábrányi-Balogh Péter1ORCID,Gadanecz Márton45ORCID,Perczel András4,Tóvári József3ORCID,Schlosser Gitta6ORCID,Takács Tamás78,Mihalovits Levente M.1ORCID,Ferenczy György G.1,Buday László7ORCID,Keserű György M.12ORCID

Affiliation:

1. Medicinal Chemistry Research Group and National Drug Discovery and Development Laboratory, HUN-REN Research Centre for Natural Sciences, Budapest 1117, Hungary

2. Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Budapest 1111, Hungary

3. Department of Experimental Pharmacology and the National Tumor Biology Laboratory, National Institute of Oncology, Budapest 1122, Hungary

4. Protein Modeling Research Group, Laboratory of Structural Chemistry and Biology, ELTE Institute of Chemistry, Budapest 1117, Hungary

5. Hevesy György PhD School of Chemistry, Eötvös Loránd University, Pázmány Péter sétány. 1/A, Budapest 1117, Hungary

6. MTA-ELTE “Lendület”, Ion Mobility Mass Spectrometry Research Group, Budapest 1117, Hungary

7. HUN-REN Research Centre for Natural Sciences, Signal Transduction and Functional Genomics Research Group, Budapest 1117, Hungary

8. Doctoral School of Biology, Institute of Biology, ELTE Eötvös Loránd University, Budapest 1117, Hungary

Funder

Nemzeti Kutat??si Fejleszt??si ??s Innov??ci??s Hivatal

Publisher

American Chemical Society (ACS)

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