Molecular Docking Simulation of Reported Phytochemical Compounds from Curculigo latifolia Extract on Target Proteins Related to Skin Antiaging


  • Syamsu Nur Department of Phytochemistry and Pharmacognosy, Faculty of Pharmacy, University of Indonesia, Depok, 16424, Indonesia.
  • Muhammad Hanafi Research Centre for Pharmaceutical Ingredient and Traditional Medicine, National Research and Innovation Agency (BRIN), Serpong, 15314, Indonesia.
  • Heri Setiawan Department of Pharmacology, Faculty of Pharmacy, University of Indonesia, Depok, 16424, Indonesia.
  • Nursamsiar Nursamsiar Department of Pharmaceutical Chemistry, Sekolah Tinggi Ilmu Farmasi Makassar, Makassar, 90245, Indonesia.
  • Berna Elya Department of Phytochemistry and Pharmacognosy, Faculty of Pharmacy, University of Indonesia, Depok, 16424, Indonesia.


Skin aging, Molecular Docking, Hypoxidaceae, Genus curculigo


Curculigo latifolia Dryand.Ex W. T. Alton is a plant reported to have antioxidant and anti-aging activities. Studies have shown the interaction of compounds from this plant with target proteins associated with antiaging in silico. This study therefore examines the in silico antiaging activity of selected compounds from Curculigo latifolia using unreported target proteins, including elastase, TNF-alpha, and Tyrosinase. Antiaging activity screening of these compounds was carried out in silico using AutoDock 14.0 software. A total of forty-six (46) compounds were successfully docked with each target protein. The results showed that the test compounds from C. latifolia have good interactions with the target proteins as indicated by their negative binding free energy values. Only a few of the test compounds had the most negative binding free energy values and interacted with the target proteins in a similar fashion as the native ligands. Compounds 4 (mundulone), 11 (orcinol glucoside), 12 (orcinol glucoside B), 14 (curculigoside B), 15 (curculigoside C), 23 (5,2,6-Trihydroxy-7,8 dimethoxyflavone-2-O-β-D-glucoside), 29 (aviprin), 30 (guaiacol), 34 (quercetin), 38 (monobenzone) and 42 (stigmastan-3,6-dione) were shown to have an inhibitory effect on one target protein, while, compounds 2 (pomiferin) and 40 (frangulin B) were predicted to interact with multitarget proteins. Compounds 2 and 40 tend to fulfill the Lipinski rule, pharmacokinetics, and toxicity requirements in silico and therefore could be developed for their potential use as antiaging molecules.

Author Biographies

Syamsu Nur, Department of Phytochemistry and Pharmacognosy, Faculty of Pharmacy, University of Indonesia, Depok, 16424, Indonesia.

Department of Pharmaceutical Chemistry, Sekolah Tinggi Ilmu Farmasi Makassar, Makassar, 90245, Indonesia.

Muhammad Hanafi, Research Centre for Pharmaceutical Ingredient and Traditional Medicine, National Research and Innovation Agency (BRIN), Serpong, 15314, Indonesia.

Department of Phytochemistry, Faculty of Pharmacy, Pancasila University, South Jakarta, 12640, Indonesia.


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How to Cite

Nur, S., Hanafi, M., Setiawan, H., Nursamsiar, N., & Elya, B. (2023). Molecular Docking Simulation of Reported Phytochemical Compounds from Curculigo latifolia Extract on Target Proteins Related to Skin Antiaging: Tropical Journal of Natural Product Research (TJNPR), 7(11), 5067–5080. Retrieved from

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