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In this contribution we analyze the effects of the E\/Z interconversion on a phosphatidyl serine lipid containing an isomerizable azobenzene moiety, which has recently been shown to regulate the activation of natural killer cells and the production of cytokines [J. Am. Chem. Soc. 2022, 144, 3863\u00a0\u2212\u00a03874]. In particular, we analyze the differential interactions of the innate immune system TIM\u20103 sensors. We show, resorting to long\u2010range molecular dynamic simulations including enhanced sampling, that the Z isomer leads to a slight decrease of the binding free energy coupled with a less pronounced rigidification of the protein compared to the E isomer and the native lipid, justifying its less pronounced activation of the immune response.<\/jats:p>","DOI":"10.1002\/chem.202501824","type":"journal-article","created":{"date-parts":[[2025,11,4]],"date-time":"2025-11-04T16:51:42Z","timestamp":1762275102000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Unraveling the Role of Azobenzene\u2010Based Photoswitchable Lipids in Controlling Innate Immune Response"],"prefix":"10.1002","volume":"31","author":[{"given":"Anastasiia","family":"Delova","sequence":"first","affiliation":[{"name":"ITODYS Universit\u00e9 Paris Cit\u00e9 and CNRS  Paris F\u201075006 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