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Review
. 2022 Nov 17;11(11):2268.
doi: 10.3390/antiox11112268.

ANTIAGE-DB: A Database and Server for the Prediction of Anti-Aging Compounds Targeting Elastase, Hyaluronidase, and Tyrosinase

Christina D Papaemmanouil  1 , Jorge Peña-García  2 , Antonio Jesús Banegas-Luna  2 , Androniki D Kostagianni  1 , Ioannis P Gerothanassis  1 , Horacio Pérez-Sánchez  2 , Andreas G Tzakos  1   3
Affiliations
Review

ANTIAGE-DB: A Database and Server for the Prediction of Anti-Aging Compounds Targeting Elastase, Hyaluronidase, and Tyrosinase

Christina D Papaemmanouil et al. Antioxidants (Basel). .

Abstract

Natural products bear a multivariate biochemical profile with antioxidant, anti-inflammatory, antibacterial, and antitumoral properties. Along with their natural sources, they have been widely used both as anti-aging and anti-melanogenic agents due to their effective contribution in the elimination of reactive oxygen species (ROS) caused by oxidative stress. Their anti-aging activity is mainly related to their capacity of inhibiting enzymes like Human Neutrophil Elastase (HNE), Hyaluronidase (Hyal) and Tyrosinase (Tyr). Herein, we accumulated literature information (covering the period 1965-2020) on the inhibitory activity of natural products and their natural sources towards these enzymes. To navigate this information, we developed a database and server termed ANTIAGE-DB that allows the prediction of the anti-aging potential of target compounds. The server operates in two axes. First a comparison of compounds by shape similarity can be performed against our curated database of natural products whose inhibitory potential has been established in the literature. In addition, inverse virtual screening can be performed for a chosen molecule against the three targeted enzymes. The server is open access, and a detailed report with the prediction results is emailed to the user. ANTIAGE-DB could enable researchers to explore the chemical space of natural based products, but is not limited to, as anti-aging compounds and can predict their anti-aging potential. ANTIAGE-DB is accessed online.

Keywords: anti-aging; anti-melanogenic; antioxidants; database; elastase; hyaluronidase; medicinal plants; natural inhibitors; natural products; tyrosinase.

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Conflict of interest statement

The authors declare no conflict of interest.

Figures

Figure 1
Figure 1
Main structural scaffolds which have been marked as potent HNE inhibitors.
Figure 2
Figure 2
Main structural scaffolds which have been marked as potent Hyal inhibitors.
Figure 3
Figure 3
Main structural scaffolds which have been marked as potent Tyr inhibitors.
Figure 4
Figure 4
Representation of interactions formed between Hyaluronidase (PDB ID: 2PE4)- quercetin: (a) Hydrogen bonds between quercetin and Trp130A, Asp206A and Asp292A, (b) Hydrogen bonds, pi-stacking and Hydrophobic Interactions between Hyaluronidase-quercetin, (c) Ligand similarity result between quercetin (green) and naringenin (grey), as reported by ANTIAGE-DB.
See this image and copyright information in PMC

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