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

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.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-03-31
DOI
https://doi.org/10.5281/zenodo.19357206
Primary Topic
Cellular transport and secretion
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

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

EMTIAZ AHMED EMON
Zenodo (CERN European Organization for Nuclear Research)
Cellular transport and secretion
article

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

EMTIAZ AHMED EMON
article en

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.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 27%
Cellular transport and secretion
DOIOpen Access PDFOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.