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Potential identities were then added to an inhouse structure library including.mol files from Chemspider (Royal Society of Chemistry, London, United Kingdom) and then targeted on the initial raw data according to the following parameters: a 5 ppm mass tolerance, a 2 mDa mass tolerance for predicted structure fragments, a 5% CCS deviation, and multiple adducts (+H, + Na, +K, + Li, +NH4) within 5 ppm and 0.1 minutes
2) including thiamine (vitamin B1 ), pantothenic acid (vitamin B5 ), Biotin (vitamin B7 ), and pyridoxine (vitamin B6 ) were (His41, Met49, Tyr54, Leu141, Asn142, Cys145, His163, His164, Met165, Glu166, His172, Asp187, Leu141, Gly143, Ser144), (Leu141, His163, His164, Asp187), (Leu141, Gly143, Ser144, Cys145), and (Cys145), respectively
J.et al (2022)
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Pediatr Nephrol 7:159162
In this context, PEPITEM and its derivatives show steroid-like activity, including suppression of leukocyte trafficking and inflammatory cytokines, supporting its use alongside existing therapies
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