Nucleo-amino acid derived AMO as a potential JAK inhibitor: machine learning screening, docking, molecular dynamics, ADMET/toxicity, and MM-PBSA analysis.

Furthermore, in addition to their essential role in protein synthesis and cellular processes, amino acids are highly significant in the development and efficacy of drugs; recently, they have been utilized in the development of novel immunogenic adjuvants (such as squalene-based polyamino acids) ( Lim et al., 2019 ; Zhang et al., 2023 ).

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