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In Silico Analysis of Size-Dependent Nucleotide Binding in the Helical Gap of Daboia russelii sPLA2 (P84674)

Year: 2026

Type: article

Abstract: This study presents an in silico analysis of the interaction between adenosine nucleotides (AMP, ADP, and ATP) and a putative secondary binding site, referred to as the "helical gap," in the basic sPLA2 isoform (P84674) from Daboia russelii venom. Using a combination of AlphaFold 3 for structural modeling and AutoDock Vina for molecular docking, a size-dependent trend in ligand accommodation was identified.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.19357205

Author: EMTIAZ AHMED EMON

Language: English

Topic: Venomous Animal Envenomation and Studies

Subfield: Genetics

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7146974331

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