Fuente: PubMed "royal jelly" J Mol Graph Model. 2026 Jul 9;148:109508. doi: 10.1016/j.jmgm.2026.109508. Online ahead of print.ABSTRACTMajor royal jelly protein 1 (MRJP1) is recognized as the principal component of royal jelly (RJ); therefore, investigating its optimal structural behavior under different environmental temperature conditions may provide insight into appropriate storage strategies for RJ. In this study, a thermal titration molecular dynamics (TTMD) approach was employed using a 100 ns simulation trajectory, followed by a comprehensive evaluation that included RMSD, RMSF, radius of gyration (Rg), secondary structure analysis, principal component analysis (PCA), normal mode analysis (NMA), free energy landscape (FEL), residue interaction network (RIN), and residue communication pattern analysis under a series of temperature conditions (277 K, 300 K, 310 K, 320 K, 329 K, 338 K, and 369 K). MRJP1 is predicted to undergo a series of conformational transitions, alterations in residue communication patterns, and stability changes in response to temperature variations. Overall, the analysis indicated that a temperature range of 277-310 K may represent a favorable stability window for MRJP1. Nevertheless, experimental validation under laboratory conditions is required to confirm the predictions obtained from this computational study.PMID:42442286 | DOI:10.1016/j.jmgm.2026.109508