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Abstract Natural products (NPs) are a valuable source for anti-inflammatory drug discovery. However, they are limited by the unpredictability of the structures and functions. Therefore, computational and data-driven pre-evaluation could enable more efficient NP-inspired drug development. Since NPs possess structural features that differ from synthetic compounds, models trained with synthetic compounds may not perform well with NPs. There is also an urgent demand for well-curated databases and user-friendly predictive tools. We presented a comprehensive online web platform (InflamNat, http://www.inflamnat.com/ or http://39.104.56.4/ ) for anti-inflammatory natural product research. InflamNat is a database containing the physicochemical properties, cellular anti-inflammatory bioactivities, and molecular targets of 1351 NPs that tested on their anti-inflammatory activities. InflamNat provides two machine learning-based predictive tools specifically designed for NPs that (a) predict the anti-inflammatory activity of NPs, and (b) predict the compound-target relationship for compounds and targets collected in the database but lacking existing relationship data. A novel multi-tokenization transformer model (MTT) was proposed as the sequential encoder for both predictive tools to obtain a high-quality representation of sequential data. The experimental results showed that the proposed predictive tools achieved an AUC value of 0.842 and 0.872 in the prediction of anti-inflammatory activity and compound-target interactions, respectively.

The aim of this study was to investigate the effects of whole-body cold-water immersion (WCWI) and lower-limb cold-water immersion (LCWI) employed during a 15-min recovery period on the subsequent exercise performance as well as to determine the physiological and perceptual parameters in the heat (39°C). Eleven males performed team-sports-specific tests outdoors. The exercise program consisted of two identical exercise protocols (1 and 2) separated by a 15-min recovery period. The participants completed the same tests in each exercise protocol, in the following order: agility t test (t-test), 20-m sprint test (20M-ST), and Yo-Yo Intermittent Endurance Test Level 1 (Yo-Yo). During the recovery period, a 3-min recovery intervention of a passively seated rest (control, CON), WCWI, or LCWI was performed. The t-test and 20M-ST for the CON group were significantly longer during exercise protocol 2, but they were not significantly different between the two exercise protocols for the WCWI and LCWI groups. The completed Yo-Yo distance for the CON and LCWI groups was shorter during exercise protocol 2, but it was not significantly different between the two exercise protocols for the WCWI group. The chest temperature (Tchest), upper arm temperature (Tarm), thigh temperature (Tthigh), mean skin temperature (Tskin), and thermal sensation (TS) values were lower for the WCWI group than for the CON group; but only the Tthigh, Tskin, and TS values were lower for the LCWI group compared to the CON group. The Tchest, Tarm, Tskin, and TS values after the intervention were lower for the WCWI group than for the LCWI group. None of the three intervention conditions affected the core temperature (Tcore), heart rate (HR), or rating of perceived exertion (RPE). These results suggest that WCWI at 15°C for 3 min during the 15-min recovery period attenuates the impairment of agility, sprint, and intermittent-endurance performance during exercise protocol 2, but LCWI only ameliorates the reduction of agility and sprint performance. Furthermore, the ergogenic effects of WCWI and LCWI in the heat are due, at least in part, to a decrease of the Tskin and improvement of perceived strain.

The aim of this study was to investigate the effects of whole-body cold-water immersion (WCWI) and lower-limb cold-water immersion (LCWI) employed during a 15-min recovery period on the subsequent exercise performance as well as to determine the physiological and perceptual parameters in the heat (39°C). Eleven males performed team-sports-specific tests outdoors. The exercise program consisted of two identical exercise protocols (1 and 2) separated by a 15-min recovery period. The participants completed the same tests in each exercise protocol, in the following order: agility t test (t-test), 20-m sprint test (20M-ST), and Yo-Yo Intermittent Endurance Test Level 1 (Yo-Yo). During the recovery period, a 3-min recovery intervention of a passively seated rest (control, CON), WCWI, or LCWI was performed. The t-test and 20M-ST for the CON group were significantly longer during exercise protocol 2, but they were not significantly different between the two exercise protocols for the WCWI and LCWI groups. The completed Yo-Yo distance for the CON and LCWI groups was shorter during exercise protocol 2, but it was not significantly different between the two exercise protocols for the WCWI group. The chest temperature (Tchest), upper arm temperature (Tarm), thigh temperature (Tthigh), mean skin temperature (Tskin), and thermal sensation (TS) values were lower for theWCWI group than for the CON group; but only the Tthigh, Tskin, and TS values were lower for the LCWI group compared to the CON group. The Tchest,Tarm,Tskin, and TS values after the intervention were lower for the WCWI group than for the LCWI group. None of the three intervention conditions affected the core temperature (Tcore), heart rate (HR), or rating of perceived exertion (RPE). These results suggest that WCWI at 15°Cfor3min during the 15-min recovery period attenuates the impairment of agility, sprint, and intermittent-endurance performance during exercise protocol 2, but LCWI only ameliorates the reduction of agility and sprint performance. Furthermore, the ergogenic effects of WCWI and LCWI in the heat are due, at least in part, to a decrease of the Tskin and improvement of perceived strain. [ABSTRACT FROM AUTHOR]