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Article

Skin Anti-Aging Potentials of Phytochemicals from Peperomia pellucida against Selected Metalloproteinase Targets: An In Silico Approach

by
Babatunji Emmanuel Oyinloye
1,2,3,*,
Emmanuel Ayodeji Agbebi
3,4,
Oluwaseun Emmanuel Agboola
3,
Chukwudi Sunday Ubah
5,
Olutunmise Victoria Owolabi
6,
Raphael Taiwo Aruleba
7,
Sunday Amos Onikanni
8,
Jerius Nkwuda Ejeje
9,
Basiru Olaitan Ajiboye
10 and
Olaposi Idowu Omotuyi
3,11
1
Phytomedicine, Biochemical Toxicology and Biotechnology Research Laboratories, Department of Biochemistry, College of Sciences, Afe Babalola University, PMB 5454, Ado-Ekiti 360001, Nigeria
2
Biotechnology and Structural Biology (BSB) Group, Department of Biochemistry and Microbiology, University of Zululand, KwaDlangezwa 3886, South Africa
3
Institute of Drug Research and Development, S.E Bogoro Center, Afe Babalola University, PMB 5454, Ado-Ekiti 360001, Nigeria
4
Department of Pharmacognosy and Natural Products, College of Pharmacy, Afe Babalola University, Ado-Ekiti 360001, Nigeria
5
Department of Epidemiology and Biostatistics, College of Public Health, Temple University, Philadelphia, PA 19121, USA
6
Medical Biochemistry Unit, College of Medicine and Health Sciences, Afe Babalola University, PMB 5454, Ado-Ekiti 360001, Nigeria
7
Department of Physiology, East Carolina University, Greenville, NC 27834, USA
8
Graduate Institute of Biomedical Sciences, College of Medicine, China Medical University, Taichung 40402, Taiwan
9
Department of Chemistry/Biochemistry/Molecular Biology, Alex Ekwueme Federal University Ndufu-Alike, P.O. Box 1010, Abakaliki 482131, Nigeria
10
Phytomedicine and Molecular Toxicology Research Laboratory, Department of Biochemistry, Federal University Oye-Ekiti, Oye-Ekiti 371104, Ekiti State, Nigeria
11
Department of Pharmacology and Toxicology, College of Pharmacy, Afe Babalola University, PMB 5454, Ado-Ekiti 360001, Nigeria
 
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Cosmetics 2023, 10(6), 151; https://doi.org/10.3390/cosmetics10060151
Submission received: 14 August 2023 / Revised: 14 September 2023 / Accepted: 19 September 2023 / Published: 2 November 2023
(This article belongs to the Special Issue Plant-Based Cosmeceuticals: Recent Developments and Advances)
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Abstract

Skin aging and wrinkle formation are processes that are largely influenced by the overexpression of enzymes like tyrosinase, elastase, and collagenase. This study aimed to validate the skin anti-aging properties of phytochemicals from Peperomia pellucida (PP) as well as its attendant mechanism of action. Compounds previously characterized from PP were retrieved from the PubChem database and docked to the active sites of tyrosinase, elastase, and collagenase using Schrödinger’s Maestro 11.5 and AutoDock tools to predict compounds with the best inhibitory potential to block these enzymes in preventing skin aging. It was observed that our hit compounds had favorable affinity and displayed key interactions at the active sites of these enzymes similar to those of the standards. With elastase, we observed key interactions with the amino acids in the S1 sub-pocket (especially ALA-181), Zn chelation, and histidine residues, which are key for inhibitory activity and ligand stability. The hit compounds showed H-bonds with the key amino acids of collagenase, including LEU-185 and ALA-186; phlobaphene and patuloside B were found to have better docking scores and inhibition constants (Ki) (−12.36 Kcal/mol, 0.87 nM and −12.06 Kcal/mol, 1.45 nM, respectively) when compared with those of the synthetic reference compound (−12.00 Kcal/mol, 1.67 nM). For tyrosinase, our hit compounds had both better docking scores and Ki values than kojic acid, with patuloside B and procyanidin having the best values of −9.43 Kcal/mol, 121.40 nM and −9.32 Kcal/mol, 193.48 nM, respectively (kojic acid = −8.19 Kcal/mol, 898.03 nM). Based on this study, we propose that acacetin, procyanidin, phlobaphene, patulosides A and B, palmitic acid, and hexahydroxydiphenic acid are responsible for the anti-aging effects of PP on the skin, and that they work synergistically through a multi-target inhibition of these enzymes.
Keywords: skin aging; metalloproteinases; kojic acid; Peperomia pellucida; procyanidin skin aging; metalloproteinases; kojic acid; Peperomia pellucida; procyanidin

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MDPI and ACS Style

Oyinloye, B.E.; Agbebi, E.A.; Agboola, O.E.; Ubah, C.S.; Owolabi, O.V.; Aruleba, R.T.; Onikanni, S.A.; Ejeje, J.N.; Ajiboye, B.O.; Omotuyi, O.I. Skin Anti-Aging Potentials of Phytochemicals from Peperomia pellucida against Selected Metalloproteinase Targets: An In Silico Approach. Cosmetics 2023, 10, 151. https://doi.org/10.3390/cosmetics10060151

AMA Style

Oyinloye BE, Agbebi EA, Agboola OE, Ubah CS, Owolabi OV, Aruleba RT, Onikanni SA, Ejeje JN, Ajiboye BO, Omotuyi OI. Skin Anti-Aging Potentials of Phytochemicals from Peperomia pellucida against Selected Metalloproteinase Targets: An In Silico Approach. Cosmetics. 2023; 10(6):151. https://doi.org/10.3390/cosmetics10060151

Chicago/Turabian Style

Oyinloye, Babatunji Emmanuel, Emmanuel Ayodeji Agbebi, Oluwaseun Emmanuel Agboola, Chukwudi Sunday Ubah, Olutunmise Victoria Owolabi, Raphael Taiwo Aruleba, Sunday Amos Onikanni, Jerius Nkwuda Ejeje, Basiru Olaitan Ajiboye, and Olaposi Idowu Omotuyi. 2023. "Skin Anti-Aging Potentials of Phytochemicals from Peperomia pellucida against Selected Metalloproteinase Targets: An In Silico Approach" Cosmetics 10, no. 6: 151. https://doi.org/10.3390/cosmetics10060151

APA Style

Oyinloye, B. E., Agbebi, E. A., Agboola, O. E., Ubah, C. S., Owolabi, O. V., Aruleba, R. T., Onikanni, S. A., Ejeje, J. N., Ajiboye, B. O., & Omotuyi, O. I. (2023). Skin Anti-Aging Potentials of Phytochemicals from Peperomia pellucida against Selected Metalloproteinase Targets: An In Silico Approach. Cosmetics, 10(6), 151. https://doi.org/10.3390/cosmetics10060151

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