In Vitro and In Silico Evaluations of Boswellia carterii Resin Dermocosmetic Activities

Hourfane, Sohaib; Mechqoq, Hicham; Errajouani, Fatima; Rocha, João Miguel; Aouad, Noureddine El

doi:10.3390/cosmetics9060131

Cited by 4 publications

(3 citation statements)

References 37 publications

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“…Molecular docking is the in silico equivalent of real high-throughput screening in which many molecules are tested against biological targets. The main goal of this approach is to discriminate active and inactive agents, in order to identify new molecules that will serve as a starting point for medicinal chemists [ 121 ].…”

Section: Resultsmentioning

confidence: 99%

A Comprehensive Review on Cannabis sativa Ethnobotany, Phytochemistry, Molecular Docking and Biological Activities

Hourfane

Mechqoq

Bekkali

et al. 2023

Plants

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For more than a century, Cannabis was considered a narcotic and has been banned by lawmakers all over the world. In recent years, interest in this plant has increased due to its therapeutic potential, in addition to a very interesting chemical composition, characterized by the presence of an atypical family of molecules known as phytocannabinoids. With this emerging interest, it is very important to take stock of what research has been conducted so far on the chemistry and biology of Cannabis sativa. The aim of this review is to describe the traditional uses, chemical composition and biological activities of different parts of this plant, as well as the molecular docking studies. Information was collected from electronic databases, namely SciFinder, ScienceDirect, PubMed and Web of Science. Cannabis is mainly popular for its recreational use, but it is also traditionally used as remedy for the treatment of several diseases, including diabetes, digestive, circulatory, genital, nervous, urinary, skin and respiratory diseases. These biological proprieties are mainly due to the presence of bioactive metabolites represented by more than 550 different molecules. Molecular docking simulations proved the presence of affinities between Cannabis compounds and several enzymes responsible for anti-inflammatory, antidiabetic, antiepileptic and anticancer activities. Several biological activities have been evaluated on the metabolites of Cannabis sativa, and these works have shown the presence of antioxidant, antibacterial, anticoagulant, antifungal, anti-aflatoxigenic, insecticidal, anti-inflammatory, anticancer, neuroprotective and dermocosmetic activities. This paper presents the up-to-date reported investigations and opens many reflections and further research perspectives.

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Section: Resultsmentioning

confidence: 99%

A Comprehensive Review on Cannabis sativa Ethnobotany, Phytochemistry, Molecular Docking and Biological Activities

Hourfane

Mechqoq

Bekkali

et al. 2023

Plants

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“…All results are expressed as averages in order to simplify the presentation of data from the different experimental groups. Statistica v6.1 (Statsoft, Inc., Palo Alto, CA, USA) was used for statistical analysis [24,25].…”

Section: Discussionmentioning

confidence: 99%

Exploring the Potential Anti-Inflammatory and Wound-Healing Proprieties of Cepaea hortensis Snail Mucin

Errajouani,

Bakrim,

Hourfane

et al. 2023

Cosmetics

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Long before its popularization as a skincare ingredient, snail slime was reported to have a variety of health-promoting attributes. Its medicinal use involved the treatment of ailments, such as anthrax, hernias, stomach pain, chest pain, as well as tuberculosis. The main aim of this study was to investigate the anti-inflammatory and wound-healing properties of snail slime from Cepaea hortensis (Müller, 1774) (brown garden snail). The slime was extracted by a mild method, and the anti-inflammatory characteristics were determined by croton-oil-induced mouse-ear edema. The histological study showed that the snail slime exerts its action at the level of inflammatory mediators, explaining the drastic decrease of edema (59% in comparison to the 47% of indomethacin). The daily application of 50 µL (15 mg/kg) of snail slime on excision wounds in rabbits proved to induce an almost full tissue repair after 24 days of treatment (87.80–92.7% wound closure in width and length, respectively). Analysis of the slime’s safety aspect allowed affirming the nontoxicity of snail slime on both the skin and eyes.

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“…A computer-aided drug design method known as molecular docking aims to forecast possible interactions between a protein and one or several ligands [12]. This method determines the interaction mode and binding affinity represented by a scoring function, and the ideal spatial conformation and functional activity [13]. In this study, the molecular docking method was conducted to assess the action of the potent anti-inflammatory activity of 50 isolated compounds from Millettia dielsiana towards targeting PDE4 subtype proteins.…”

Section: In Silico Molecular Docking Simulationsmentioning

confidence: 99%

Natural Phosphodiesterase-4 Inhibitors with Potential Anti-Inflammatory Activities from Millettia dielsiana

Le,

Hung,

et al. 2023

Molecules

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The results of in silico screening of the 50 isolated compounds from Millettia dielsiana against the target proteins PDE4 (PDE4A, PDE4B, and PDE4D) showed binding affinity ranges from −5.81 to −11.56, −5.27 to −13.01, and −5.80 to −12.12 kcal mol−1, respectively, with median values of −8.83, −8.84, and −8.645 kcal mol−1, respectively. Among these compounds, Millesianin F was identified as the most promising PDE4A inhibitor due to its strongest binding affinity with the target protein PDE4A. (−11.56 kcal mol−1). This was followed by the compound 5,7,4′-trihydroxyisoflavone 7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside (D50) with the binding affinity value of −11.35 kcal mol−1. For the target protein PDE4B, compound D50 exhibited the strongest binding affinity value of −13.01 kcal mol−1, while showing poorer inhibition ability for PDE4D. The 100 ns MD simulation examination (radius of gyration, Solvent Accessible Surface Area (SASA), Root-Mean-Square Deviation (RMSD), Root-Mean-Square Fluctuation (RMSF), and hydrogen bonding) was carried out to examine the overall stability and binding efficiency of the protein–ligand complex between compounds (Millesianin F, Millesianin G, Claclrastin-7-O-β-d-glucopyranoside, 7-hydroxy-4′,6 dimethoxyisoflavone-7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside, 7-hydroxy-4′,8-dimethoxyisoflavone 7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside, Odoratin-7-O-β-d-glucopyranoside, and 5,7,4′-trihydroxyisoflavone 7-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside) and PDE4 (A, B) subtype proteins. Compound D50 has shown strong anti-inflammatory activity, as evidenced by experimental results. It effectively inhibits PDE4B and PDE4D, with IC50 values of 6.56 ± 0.7 µM and 11.74 ± 1.3 µM, respectively. Additionally, it reduces NO production, with an IC50 value of 5.40 ± 0.9 µM. Based on these findings, it is promising and considered a potential novel anti-inflammatory drug for future development.

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In Vitro and In Silico Evaluations of Boswellia carterii Resin Dermocosmetic Activities

Cited by 4 publications

References 37 publications

A Comprehensive Review on Cannabis sativa Ethnobotany, Phytochemistry, Molecular Docking and Biological Activities

A Comprehensive Review on Cannabis sativa Ethnobotany, Phytochemistry, Molecular Docking and Biological Activities

Exploring the Potential Anti-Inflammatory and Wound-Healing Proprieties of Cepaea hortensis Snail Mucin

Natural Phosphodiesterase-4 Inhibitors with Potential Anti-Inflammatory Activities from Millettia dielsiana

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