JSMARTech Journal of Smart Bioprospecting and Technology p-ISSN: 2686-0805 e-ISSN: 2714-7894 October 2022, VOL 03 NO 02 DOI:https://doi.org/10.21776/ub.jsmartech.2022.003.02.73 72 Jsmartech.ub.ac.id Virtual Prediction of The Potency of Common Jasmine (Jasminum officinale L.) Bioactive Compounds as Anti-Aging Agents for Natural Sunscreen Fathiyah Nurul Izzah 1 , Dawama Nur Fadlilah 1 , Yohanna Sisilia Grace Sirait 1 , Nandagesta Aurelia Shafa Wagmi 1 , Abdullah Abdullah 1 , Turhadi Turhadi 1 and Fatchiyah Fatchiyah 1 2 * 1 Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, East Java, Indonesia, 65145 2 Research Center of Smart Molecule of Natural Genetics Resource, Brawijaya University, Malang, East Java, Indonesia, 65145 Submission: 26 August 2022; Revised: 19 September 2022; Accepted: 30 October 2022 *Corresponding author: Fatchiyah Fatchiyah; e-mail: fatchiya@ub.ac.id ABSTRACT. UV exposure causes protein denaturation in the skin, leading to wrinkles and photoaging. Matrix metalloproteinases (MMPs) are enzymes that degrade the matrix and are associated with destruction processes like skin aging. Tyrosinase is the rate-limiting enzyme in the melanin synthesis process. We predict that Jasminum officinale L. bioactive compounds can be used as inhibitors for MMP1, MMP3, and tyrosinase. This study aims to compare the potential of bioactive compounds in Jasminum officinale L. as an inhibitor for the MMP1, MMP3, and tyrosinase receptors to prevent anti-aging. Vanillin, hydroxytyrosol, salicylic acid, 3,4-dihydroxy benzoic acid, oleoside-11-methyl ester, ursolic acid, oleanolic acid, and jasminine were retrieved from PubChem database as ligands, to dock with MMP1, MMP3, and tyrosinase as receptors that were retrieved from RCSB PDB. ADMET analysis was performed using pKCSM. Target-based virtual screening was performed using AutoDock Vina in PyRx. Visualization and interactions of amino acid residues was performed using Biovia Discovery Studio 2021. The complex structure was analyzed by molecular dynamics using the CABS-Flex 2.0 website. The oleoside-11-methyl ester compound has the highest potential as an MMP1 inhibitor, the 3,4-dihydroxy benzoic acid compound has the potential to inhibit MMP3, and hydroxytyrosol has the potential to inhibit tyrosinase involved in skin aging because it has low toxicity, highest binding affinity, and low fluctuations based on RMSF values in molecular dynamics simulations. Thus, this study indicated that bioactive compounds in common jasmine (Jasminum officinale L.) can be used as a candidate for organic sunscreen. Keywords: anti-aging, Jasminum officinale L., MMP1, MMP3, sunscreen, tyrosinase, UV INTRODUCTION Skin is the outermost layer of the body as well as the largest organ in humans that acts as a physical and immunological barrier against environmental stressors such as external pathogens, toxins, chemical agents, and UV. One of the environmental effects that has the most potential to negatively impact human skin damage is ultraviolet (UV) light [1]. The most abundant protein found in the extracellular matrix of human skin connective tissue is collagen which functions as a connective tissue attachment. UV exposure causes protein denaturation in the skin, leading to wrinkles and photoaging. This process induces the formation of MMPs (matrix metalloproteinases), which are enzymes that degrade the matrix and are associated with destruction processes such as inflammation, tumor invasion, and skin aging. One of the MMPs is MMP1 or collagenase-1 which contributes to collagen degradation in the photoaging process of human skin and is secreted by dermal fibroblasts [2]. Stromelysin-1 protein (MMP3) belongs to the family of MMPs that are induced during development, inflammation, and wound repair. Stromelysin can degrade extracellular matrix proteins such as E-cadherin, laminin, and type IV collagen. [3]. Therefore, inhibitors of MMP enzymes may have potential against skin aging as they prevent the loss of skin elasticity [2]. Tyrosinase is the rate-limiting enzyme in the melanin synthesis process. Although melanin has an important role in protecting the skin from the toxic effects of UV light, its overproduction correlates with hyperpigmentation-related disorders. Brownish or blackish blotchy spots are a sign of skin pigmentation which is one of the major changes due to increased tyrosinase activity and melanin production associated with aging [4]. Sunscreens are produced as topical products that serve to protect the skin from damage by UV rays. Sunscreens are able to prevent the development of solar radiation-mediated skin conditions such as aging, wrinkle formation,