| Titre : | Chemical composition and combined in vitro-in silico approach of natural antioxydant agents applied for skin care - Formulation an anti-hyperpigmentation cream - |
| Auteurs : | Elyamna KHERFI, Auteur ; Asma Fettah, Directeur de thèse ; Samira Karoune, Directeur de thèse |
| Type de document : | Mémoire magistere |
| Editeur : | Biskra [Algérie] : Faculté des Sciences Exactes et des Sciences de la Nature et de la Vie, Université Mohamed Khider, 2025 |
| Format : | 1VOL.(87p) / ill.couv.ill.en coul / 30cm |
| Langues: | Anglais |
| Langues originales: | Anglais |
| Mots-clés: | Hyperpigmentation - Natural product - Antioxidant activity- GC-MS - Molecular docking. |
| Résumé : |
Due to the high prevalence of hyperpigmentation phenomena and skin spots associated with oxidative stress, numerous researchers have focused on identifying new antioxidant compounds capable of preventing or treating these skin diseases. Firstly, this study aimed to evaluate the antioxidant activity of oils extracted from plant sources, applying various methods such as DPPH, DMSO and phenanthroline. The results showed that chia and apricot kernel oil obtained with good yield, possessing remarkable ability to inhibit free radicals. Subsequently, the presence of fatty acids was then demonstrated using the GC-MS chromatography method, which identified 26 chemicals in chia vegetable oil and 8 compounds in apricot kernel oil. Secondly, this work aims to discover, through in silico new structures acting as tyrosinase inhibitors that play a role in inhibiting oxidative stress and improving melanin production.To conduct this study, we combined two methods: molecular modeling (molecular docking) and ADME-T calculations on 28 compounds selected from the previous study. This approach enabled the validation of their therapeutic potential and elucidation of their inhibitory mechanism. The findings highlighted five ligands (L2, L11, L14, L18, and L25) exhibiting strong inhibitory affinity toward tyrosinase (9EY8) along with favorable pharmacokinetic profiles, making them suitable for topical use without major adverse effects for the treatment of skin hyperpigmentation. All these results thus pave the way for the development of a cosmetic cream formulation designed to prevent and reduce pigmented spots. |
| Sommaire : |
General introduction.............................................................................................1 Reference.......................................................................................................................3 Introduction…………………………………………………………....…………..…5 General oxidative stress and antioxidant agent skin care……………………...….5 I. Oxidative stress…………………………………………………………..……..…5 I.1 Free radicals……………………………………………………………..……….6 I.1.1 Types of free radicals……………………………………………………….....…7 I.1.2 Sources of free radicals………………………..………………...………..……..7 II. Consequences of oxidative Stress………………………………..…………..……..7 III. Oxidative stress and skin diseases………………………………………………..…8 IV. Antioxidant agents………………………………….……….……..…..………...…10 IV.1 Types of antioxidants……………………………………………...…………....11 IV.2 Role of antioxidants in Skin treatment……………………….......………..…12 Essential oil (Definition; Role; properties; Structure)…………….......…...…...…12 Vegetable oil (Definition; Role; properties; Structure)…………......…………….15 V. References………………………………………………………….........……….....18 Introduction……………………………………….………………………………..22 Part 1 : Materials and Methods……………………………………………….....……23 I Identification of plants used………………………..…………………....……....23 II Methods of oil extraction………………………………………....………..….…25 II.1 Preparation of plant material ………………….…………….....……….…….25 II.2 Soxhlet extraction of vegetable oil…………………………….......……..…….26 II.3 Extraction of clevenger by hydrodisstilation of essentiel oil…….........……...27 III Characterization of the oils………………………………….....……..………..29 III.1. Organoleptic study………………………………………………….....…………29 III.2. Extraction yield………………………………………………….....………….....29 IV Evaluation of the antioxidant activity(DPPH, DMSO and phenanthroline)…..29 V Identification by Gas Chromatography-Mass Spectrometry GC-MS……....….32 Part 2: Discussion of results….…………………………………….……….……….….33 I. Characterization organoleptic study of the oils……………………..….……….33 II. Extraction yield……………………………………………….....………………..34 III. Evaluation of the antioxidant :(DPPH, DMSO aphenanthroline….................35 IV. Result of chromatography GC-MS Analysis …………………..……………..40 V. References……………………………………………..………..……...……....…42 I. Introduction…………………………………………………………..……..……46 II. Molecular docking…………………………………………………….…...…….46 II.1 Principle of Docking……………………..…………………………….……….46 II.2 Types of molecular docking……………...……………………………...……..47 II.3 Molecular docking programs………..………………………………………..48 III. Prediction ADMET in silico …………………………………….……………48 Part 1: Materials and Methods……………………………………………….………50 I. Materials………………………………………………………………………….50 I.1 Microcomputer…………………………………………………….…….……..50 I.2 Programs used……………………………………………..…………..………..50 I.3 Data banks……………………………………………………….......……...…..52 II. Methods………………………………………………………………...……..…54 II.1 Calculation Steps…………………………...………….…………………..….54 II.2 Pharmacokinetics and Toxicity properties prediction……………..……..…59 Part 2: Discussion of results………………………………………………..……..…..59 I. Results of molecular docking……………………………………..…...…….…….59 II. Interacticon of ligands-9EY8………………………………..…….….…....….61 III. Evaluation of ADME properties……………………….………..…...…...….65 IV. References……………………………………………….…………..…….…...68 Conclusion…...........................................................................................................72 Preparation of prototype ………………………………………………………..75 |
| Type de document : | Mémoire master |
Disponibilité (1)
| Cote | Support | Localisation | Statut |
|---|---|---|---|
| MCH/694 | Mémoire master | bibliothèque sciences exactes | Consultable |
