Skin anti-aging potential of Launaea procumbens extract: Antioxidant and enzyme inhibition activities supported by ADMET and molecular docking studies

Abstract

Aging is a natural process that occurs in all living organisms. Particularly, the skin embodies aging since it serves as a barrier between the body and its surroundings. Previously, we reported the wound healing effect of Launaea procumbens and identified compounds therein. The study aims to explore the skin anti-aging properties of the plant extract. To that effect, the antioxidant potential of L. procumbens methanolic extract (LPM) was assessed using two complementary DPPH and FRAP assays. The enzyme inhibitory effect of the extract on collagenase, elastase, hyaluronidase, and tyrosinase was evaluated to assess the direct skin anti-aging effects. Similarly, the anti-inflammatory activity was evaluated to explore the indirect anti-aging effects via the assessment of extract inhibitory effects on cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX). In addition, ADMET and molecular docking studies were performed to explore the interaction mechanisms of identified compounds in LPM with target enzymes. LPM demonstrated significant antioxidant activity in DPPH (IC₅₀ = 29.08 µg/mL) and FRAP (1214.67 µM FeSO4/g extract) assays. Plant extract showed significant inhibition of collagenase, elastase, hyaluronidase, and tyrosinase (IC₅₀ = 52.68, 43.76, 31.031, and 37.13 µg/mL, respectively). The extract demonstrated significant COX-2 and 5-LOX inhibition capacity with IC₅₀ values of 8.635 and 10.851 µg/mL, respectively. The molecular docking study revealed the high potential of the identified compounds to bind to the active sites of enzymes crucially involved in the skin aging process. ADMET analysis of the compounds revealed their good absorption, distribution, and metabolism profiles, and they were found to be safe as well. Study findings suggest L. procumbens as a promising source for the development of natural skin anti-aging and antioxidant compounds. This, in turn, may facilitate its incorporation into cosmetic formulations after further investigation.

Keywords: ADMET; Anti-aging; Docking; Launaea procumbens.

Fig. 1

Enzyme inhibitory activity of Launaea procumbens against (A) Collagenase, (B) elastase, (C) hyalurodinase, and (D) Tyrosinase, compared to epigallocatechin gallate (EGCG), Tannic acid, and kojic acid respectively. The data expressed as IC₅₀, a mean of three distinct and independent experiments.

Fig. 2

Anti-inflammatory activity of Launaea procumbens. Inhibitory activity on (A) COX-2, and (B) 5-LOX; compared to indomethacin and Nordihydroguaiaretic acid (NDGA), respectively. The data expressed as IC₅₀, a mean of three distinct and independent experiments.

Fig. 3

2D and 3D binding mode representation of top most compounds in binding pocket of selected targets. (A) Touruosamine-collagenase complex, (B) Luteolin 8-C-glucoside- Elastase complex ((C) Isobetanidin-hyaluronidase complex, (D), Cimigenol-tyrosinase complex, (E) Isobetanidin-5-LOX complex, (F) Isobetanidin-COX complex.

Fig. 3

2D and 3D binding mode representation of top most compounds in binding pocket of selected targets. (A) Touruosamine-collagenase complex, (B) Luteolin 8-C-glucoside- Elastase complex ((C) Isobetanidin-hyaluronidase complex, (D), Cimigenol-tyrosinase complex, (E) Isobetanidin-5-LOX complex, (F) Isobetanidin-COX complex.