Evidence map›Paper›PMID 42020460›Full record

ArticleScientific reports2026

Integrated metabolite profiling and molecular docking reveal anti-aging potential of Clerodendrum infortunatum L. fractions.

Fatma Atef, Mostafa A Abdelkawy, Basma M Eltanany, Laura Pont, Ahmed A Al-Karmalawy, Fernando Benavente, Inas Y Younis, Asmaa M Otify

Abstract read
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Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

8 authors.

Fatma AtefPostgraduate Program in Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt.
Mostafa A AbdelkawyDepartment of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt.
Basma M EltananyDepartment of Pharmaceutical Analytical Chemistry, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt.
Laura PontDepartment of Chemical Engineering and Analytical Chemistry, Institute for Research on Nutrition and Food Safety (INSA·UB), University of Barcelona, Barcelona, 08028, Spain.
Ahmed A Al-KarmalawyDepartment of Pharmaceutical Chemistry, College of Pharmacy, The University of Mashreq, Baghdad, 10023, Iraq.
Fernando BenaventeDepartment of Chemical Engineering and Analytical Chemistry, Institute for Research on Nutrition and Food Safety (INSA·UB), University of Barcelona, Barcelona, 08028, Spain. fbenavente@ub.edu.
Inas Y Younis *Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt.
Asmaa M Otify *Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt. asmaa.otify@pharma.cu.edu.eg.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Skin aging is a complex and irreversible natural process impacted by genetics, lifestyle, and environmental variables, leading to wrinkles, loss of elasticity, and uneven skin tone. There is a growing demand for natural skincare products, which are perceived as safer, more sustainable, and effective in combating the signs of aging. Clerodendrum infortunatum (C. infortunatum) Linn. (Family Lamiaceae) has traditional medicinal uses, including hepatoprotection, antimicrobial, and vermifuge activity, as well as benefits in alleviating inflammation, arthritis, and diabetes. This study aims to investigate the metabolites present in different solvent-extracted fractions of the aerial parts of C. infortunatum through liquid chromatography-tandem mass spectrometry (LC-MS/MS) profiling, and to evaluate their anti-aging potential using in vitro anti-collagenase and anti-elastase assays. The correlation between the identified metabolites and bioactivity was investigated using a partial least squares (PLS) chemometric approach. To confirm these findings, molecular docking studies were performed to assess the inhibitory potential of the metabolites most strongly correlated with bioactivity against elastase and collagenase target enzymes. This study is the first to correlate the secondary metabolites of C. infortunatum solvent-extracted fractions with their newly discovered anti-aging properties, representing a significant contribution to the field. Additionally, it presents the first molecular docking analysis of salsaside A, jionoside C, and 6'-caffeoyl-12-glucosyloxy-jasmonic acid against collagenase and elastase enzymes, revealing significant binding affinities and promising inhibitory potential. These findings underscore the potential of these metabolites as novel anti-aging compounds through their strong interactions with key target enzymes.

Indexed as

ClerodendrumMetabolomePlant ExtractsSkin AgingChromatography, LiquidCollagenasesHumansLiquid Chromatography-Mass SpectrometryMetabolomicsMolecular Docking SimulationPancreatic ElastaseTandem Mass SpectrometryCollagenasesPancreatic ElastasePlant ExtractsAnti-collagenaseAnti-elastaseChemometricsClerodendrum infortunatumLC-MS/MSMetabolomicsMolecular docking

Identifiers

PMID42020460
PMCPMC13270036

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.