Experimental and Computational Druggability Exploration of the 14-3-3ζ/SOS1pS1161 PPI Interface | Zendy

Alice Ballone | Zendy; Francesca Picarazzi | Zendy; Christine E. Prosser | Zendy; Jeremy Davis | Zendy; Christian Ottmann | Zendy; Mattia Mori | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Experimental and Computational Druggability Exploration of the 14-3-3ζ/SOS1pS¹¹⁶¹ PPI Interface

Author(s) -

Alice Ballone,

Francesca Picarazzi,

Christine E. Prosser,

Jeremy Davis,

Christian Ottmann,

Mattia Mori

Publication year - 2020

Publication title -

journal of chemical information and modeling

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.24

H-Index - 160

eISSN - 1549-960X

pISSN - 1549-9596

DOI - 10.1021/acs.jcim.0c00722

Subject(s) - druggability , workflow , drug discovery , computational biology , key (lock) , computer science , interface (matter) , task (project management) , chemistry , bioinformatics , biology , biochemistry , engineering , parallel computing , computer security , systems engineering , bubble , database , maximum bubble pressure method , gene

The exploration of the druggability of certain protein-protein interactions (PPIs) still remains a challenging task in drug discovery. Here, we present a case study using the 14-3-3-PPI, showing how small molecules can be located that are able to modulate this key oncogenic pathway. A workflow embracing biophysical techniques and MD simulations was developed to evaluate the potential of a 14-3-3ζ PPI system to bind new tool compounds. The significance of the use of computational approaches to compensate for the limitations of experimental techniques is demonstrated.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research