Uncovering Streptomyces-Derived Compounds as Cosmeceuticals for the Development of Improved Skin Photoprotection Products: An In Silico Approach to Explore Multi-Targeted Agents

The search for novel photoprotective substances has become a challenge in cosmeceutical research. Streptomyces-derived compounds can serve as promising source of agents to formulate skin photoprotection products, such sunscreens. This study aimed identify specialized metabolites with the potential modulate UV-induced cellular damage by identifying multi-target-directed ligands. Using combination ligand- and target-based virtual screening approaches, public compound library comprising 6524 was studied their capability. were initially filtered safety features then examined ability interact key targets photodamage pathway molecular docking. A set 50 commercially available UV filters used benchmark. protein–ligand stability selected also dynamics (MD) simulations. From library, 1981 found meet criteria topically applied low permeability or non-toxicity-alerting substructures. total 34 had binding scores against crucial involved photodamage, serotonin-receptor subtype 5-HT2A, platelet-activating factor receptor, IL-1 receptor type 1, epidermal growth cyclooxygenase-2. Among these compounds, aspergilazine phaeochromycin F showed highest ranked interactions four five triggered complex stabilization over time. Additionally, predicted UV-absorbing profiles suggest UV-filtering effect. Streptomyces is an encouraging biological developing topical products. After silico interactions, mode led discovery candidates multi-target inhibitors. Therefore, they be further explored formulation