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Both ADPR and NAADP act as intracellular secondary messengers and play an essential role in Ca 2+ influx by activating transient receptor potential melastatin-2 (TRPM2) in immunocytes to regulate many physiological processes [22]
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These interactions for 1j might promote tighter binding affinity compared to the endogenous substrate NCA, further indicated by a much lower calculated Vina docking score for 1j (−8.1 vs for NCA) that suggests improved energetic interactions for 1j in the NNMT active site
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