READ ME File For 'Dataset for the Identification of Cyclic Peptide Inhibitors of RAS/SOS1 Complex'

Dataset DOI: 10.5258/SOTON/D3638

ReadMe Author: JUAN ANTONIO SARMIENTO MURO, University of Southampton

This dataset supports the thesis entitled: 'Identification of Cyclic Peptide Inhibitors of RAS/SOS1 Complex that Disrupts RAS Signaling in Cancer Cells'
AWARDED BY: University of Southampton
DATE OF AWARD: 2025

DESCRIPTION OF THE DATA
This dataset contains:
Research data 1. RTHS characterization. Drop spotting and toxicity assays, and sequencing data to validate both constructed RTHS.
Research data 2. CX5 library screening. NGS data for each round of CX5 library screening for both versions of the RTHS KRAS-SOS1 under a variety of conditions.
Research data 3. MST assays. MST assays for KRAS and SOS1 against top-enriched cyclic peptides; KRAS against alanine mutants of CP9; SOS1 against alanine mutants of CP1; and KRAS against cyclo-organo peptides derived from loop-1.
Research data 4. HTRF assays. HTRF assays for the KRAS-SOS1 complex to optimize the assay and quantify disruption by SICLOPPS peptides, alanine mutants of CP1 and CP9, and cyclo-organo peptides.
Research data 5. Western blot assays. Preliminary Western blot assays in PANC-1 cells to optimize conditions, with SICLOPPS peptides at a single dose for pMEK, pERK, and pAKT.
Research data 6. Peptide characterization. Low- and high-resolution MS and analytical HPLC for the characterization of synthesized SICLOPPS cyclic peptides and cyclo-organo peptides.
Research data 7. Structural modelling. Structure prediction of CP1 in complex with SOS1 and CP9 in complex with KRAS, generated using AlphaFold and CrackPEP. Analysis of protein–protein interactions (PPI) for cyclic peptide derivatives was performed with Rosetta PeptiDerive, and prediction of organic fragments enabling cyclization was carried out with Backbone Match. The resulting PDB files can be visualized with any molecular viewer, such as PyMOL or UCSF Chimera.

Date of data collection: February 2021-February 2025

Information about geographic location of data collection: University of Southampton, UK

Licence:
CC BY-NC 4.0

Related projects/Funders:
This PhD research was supported by the Secretaría de Ciencia, Humanidades, Tecnología e Innovación of Mexico (SECIHTI), a university discount provided through an academic agreement between SECIHTI and the University of Southampton, and financial support from Professor Ali Tavassoli’s laboratory at the University of Southampton.

Related publication:
No related publications are available at this stage

Date that the file was created: August 2025