Design and Binding Affinity of Antisense Peptides for Snake Venom Neutralization - experimental data

Experimental data for the paper entitled Design and Binding Affinity of Antisense Peptides for Snake Venom Neutralization (manuscript accepted for publication in Molecules). This repository contains all experimental and computational data associated with the study of sense-antisense peptide interactions targeting neurotoxic sites in Ammodytoxin A (AtxA). The data support the investigation of binding affinities and structural insights obtained through molecular modeling, fluorescence spectroscopy, and computational docking. Datasets include: Peptide Specifications: Detailed information on the synthesized peptides used in the study (GenScript Biotech B.V., Netherlands). Protparam Output: Computational analysis of peptide physico-chemical properties generated using the Expasy ProtParam tool. SPECFIT Data: Fluorescence titration results analyzed using SPECFIT software (version 2.12), including association constants, spectral fits, and residual plots. HPEPDOCK Outputs: Docking models and scores for the interaction of sense and antisense peptides or antisense peptides with AtxA (PDB: 3G8G). Initial 3D structures of the S1, S1A1 and S1A2 pentapeptides were generated using the PEP-FOLD3 server. ChimeraX Session Files: Molecular visualization sessions highlighting docking results, binding interfaces, and peptide conformations. Fluorescence Spectra: Experimental fluorescence spectra of stock solutions of sense and antisense peptides.