Prediction of resveratrol target proteins: a bioinformatics analysis

Lagunas‐Rangel, Francisco Alejandro

doi:10.1080/07391102.2023.2196698

Cited by 6 publications

(1 citation statement)

References 75 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This transformation involves the integration of high-throughput data and machine learning techniques, enabling the retrospective identification of key proteins implicated in drug-induced transcriptomic and proteomic changes [23,24]. Furthermore, approaches based on protein-protein interaction networks, drug-target networks, and disease-gene networks have contributed to improving our understanding of protein-protein interaction mechanisms [25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Sulforaphane Target Protein Prediction: A Bioinformatics Analysis

Lagunas-Rangel

2024

Applied Sciences

Self Cite

View full text Add to dashboard Cite

Sulforaphane, a phytochemical found in cruciferous vegetables and various nutraceutical foods, plays a crucial role in promoting well-being and combating various diseases. Its remarkable effects are due to its intricate interactions with a wide range of proteins, some of which remain unidentified. In this study, taking advantage of bioinformatics tools for protein target prediction, we identified 11 proteins as potential targets of sulforaphane. Due to its biological relevance and their correlation with transcriptomic changes observed in sulforaphane-treated cells, the possible interaction between sulforaphane and nicotinamide phosphoribosyltransferase (NAMPT) was further investigated. A docking analysis suggested that sulforaphane is strategically positioned at the entrance of the channel through which substrates enter, thus bypassing the active site of the enzyme. By forming hydrogen bonds with residues K189, R349, and S275, sulforaphane establishes a linkage with NAMPT. Dynamic molecular analyses further corroborated these observations, illustrating that these bonds allow sulforaphane to associate with NAMPT, mimicking the behavior of a NAMPT activator (NAT), a known activating compound of this enzyme. This collective evidence suggests that sulforaphane may activate NAMPT, providing valuable insights into a possible mechanism underlying its diverse biological effects.

show abstract