Autism Spectrum Disorder (ASD) is a complex neurodevelopmen-tal condition characterized by challenges in social interaction, commu-nication, and repetitive behaviors. Despite significant research efforts,effective treatments for ASD remain limited, largely due to the disor-der’s heterogeneous nature and multifactorial etiology. Often drug discovery approaches have fallen short in addressing the diversesymptoms and underlying biological mechanisms of ASD. In this context,the BpsA carrier protein and 4’-phosphopantetheinyl transferases (PPTases)present a promising opportunity for novel therapeutic development. BpsA isa multifunctional enzyme involved in the biosynthesis of secondary metabo-lites, such as antibiotics, through the activation by PPTases.These enzymes catalyze the transfer of the 4’-phosphopantetheine moi-ety from coenzyme A to specific serine residues on carrier proteins, con-verting them from their inactive apo-form to their active holo-form. Whilethrough directing evolution we can engineer protein, mimicing natural selec-tion demands for sophisticated screening in order to evolve proteins or nucleicacids.Applying directed evolution to the BpsA carrier protein domain, we aimto enhance its activation by non-cognate PPTases, potentially leading to thediscovery of new bioactive compounds with therapeutic relevance to ASD.The chemical changes resulting from directed evolution can extend be-yond the primary structure of the synthesized compounds. The introductionof new functional groups or the modification of existing ones can lead to thegeneration of structurally diverse derivatives. The evolved BpsA variantsmay interact with tailoring enzymes, such as oxidoreductases, methyltrans-ferases, or glycosyltransferases, in novel ways. Enzyme modifications arepractical. This method can result in the production of compounds withmodified functional groups, altered oxidation states, or the addition of sugarmoieties.While semisynthetic derivatization often proves key in order to developour new drug, the novel compounds produced through the action of evolvedBpsA can serve as starting points for extensive chemical modifications. Thesederivatization techniques, such as selective protection, deprotection, or func-tional group interconversions, can generate libraries of structurally diverseanalogs.In turn, evolved BpsA variants could enable the production of new in-termediates that can be again transformed by biocatalytic enzymes. Theseenzymes, such as oxidases, reductases, or hydrolases, can introduce additionalchemical modifications, expanding the structural diversity of the final prod-ucts. Exploring new chemical spaces we leverage the full power of directedevolution and maybe discover novel bioactive compounds with therapeuticrelevance for ASD and , perhaps,other conditions. The chemical changes andnew chemistry arising from the engineered BpsA variants can provide a richsource of lead compounds for drug discovery efforts, offering new opportuni-ties for the development of sophisticated treatments.In this article, we will explore the options we have, engineering such a newdrug, we will focus mostly around molecular action and directed evolutiontechnique, while delivering proper analysis regarding our BpsA variants.