Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in silico studies
Azadirachta indica, commonly known as neem or Mim in Chad, is recognized for its significant biological activities and is used for medicinal purposes. This study quantifies phenolic content, analyzes chemical composition via high-performance liquid chromatography–mass spectrometry, and evaluates the...
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De Gruyter
2025-07-01
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| Series: | Open Chemistry |
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| Online Access: | https://doi.org/10.1515/chem-2025-0178 |
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| author | Brahim Mahamat Ousman Asraoui Fadoua Farihi Ayoub Bouhrim Mohamed Boussaoudi Ibtissam El Ismaili Soumaya Herqash Rashed N. Shahat Abdelaaty A. Otchom Brahim Boy Saoud Younes |
| author_facet | Brahim Mahamat Ousman Asraoui Fadoua Farihi Ayoub Bouhrim Mohamed Boussaoudi Ibtissam El Ismaili Soumaya Herqash Rashed N. Shahat Abdelaaty A. Otchom Brahim Boy Saoud Younes |
| author_sort | Brahim Mahamat Ousman |
| collection | DOAJ |
| description | Azadirachta indica, commonly known as neem or Mim in Chad, is recognized for its significant biological activities and is used for medicinal purposes. This study quantifies phenolic content, analyzes chemical composition via high-performance liquid chromatography–mass spectrometry, and evaluates the antioxidant activity of Mim leaf extracts with ethanol (ELE) and water (WLE). The analysis identified bioactive compounds with strong radical scavenging activity and conducted in silico studies by molecular docking with AutoDock Tools. Crystal structures were sourced from the Protein Data Bank, and the Swiss absorption, distribution, metabolism, and excretion platform analyzed the pharmacokinetic properties. Results indicated that WLE had a higher phenolic content (264.7 ± 0.03 µg gallic acid equivalent [GAE]/mg) compared to ELE (135.3 ± 0.05 µg GAE/mg). Flavonoid content was greater in ELE (138.33 ± 0.002 µg catechin equivalent [CE]/mg) than in WLE (83.38 ± 0.002 µg CE/mg). Major compounds identified through high-performance liquid chromatography coupled to mass spectrometry included diethyl phthalate in ELE (92.31%) and butylated hydroxytoluene (BHT) in WLE (28.12%). Antioxidant activities measured by 2,2-di-phenyl-1-picrylhydrazyl, 2,2-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid), and ferric-reducing power assays showed promising results for both extracts. BHT demonstrated a better affinity for glutathione reductase and lipoxygenases, while vanillin showed a strong affinity for cyclooxygenase. Most compounds exhibited high intestinal absorption and are not P-glycoprotein substrates, indicating potential for oral medication. Finally, Mim extracts contain diverse compounds that contribute to their notable antioxidant activity. |
| format | Article |
| id | doaj-art-2e71b8499be7457a98a68a1a9d2313e4 |
| institution | Kabale University |
| issn | 2391-5420 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | De Gruyter |
| record_format | Article |
| series | Open Chemistry |
| spelling | doaj-art-2e71b8499be7457a98a68a1a9d2313e42025-08-20T03:28:19ZengDe GruyterOpen Chemistry2391-54202025-07-01231p. 31310.1515/chem-2025-0178Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in silico studiesBrahim Mahamat Ousman0Asraoui Fadoua1Farihi Ayoub2Bouhrim Mohamed3Boussaoudi Ibtissam4El Ismaili Soumaya5Herqash Rashed N.6Shahat Abdelaaty A.7Otchom Brahim Boy8Saoud Younes9Laboratory of Biology, Ecology, and Health, Faculty of Sciences, BP 2121, Abdelmalek Essaadi University, 93002, Tetouan, MoroccoLaboratory of Biology, Ecology, and Health, Faculty of Sciences, BP 2121, Abdelmalek Essaadi University, 93002, Tetouan, MoroccoLaboratory of Bioresources, Biotechnology, Ethnopharmacology, and Health, Faculty of Sciences, Mohammed First University, Oujda, 60000, MoroccoTBC Laboratories, UFR3S, Department of Pharmacy, University of Lille, B.P. 83, 59000Lille, FranceLaboratory of Biology and Health, Biology Department, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, MoroccoInnovating Technologies Laboratory, Civil Engineering Department, National School of Applied Sciences ENSA-Tangier, Abdelmalek Essaadi University, B.P. 1818, 90000, Tangier, MoroccoDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi ArabiaFaculty of Human Health Sciences (FSSH), University of N’Djamena, and Toumaï University, N’Djamena, Republic of ChadLaboratory of Biology, Ecology, and Health, Faculty of Sciences, BP 2121, Abdelmalek Essaadi University, 93002, Tetouan, MoroccoAzadirachta indica, commonly known as neem or Mim in Chad, is recognized for its significant biological activities and is used for medicinal purposes. This study quantifies phenolic content, analyzes chemical composition via high-performance liquid chromatography–mass spectrometry, and evaluates the antioxidant activity of Mim leaf extracts with ethanol (ELE) and water (WLE). The analysis identified bioactive compounds with strong radical scavenging activity and conducted in silico studies by molecular docking with AutoDock Tools. Crystal structures were sourced from the Protein Data Bank, and the Swiss absorption, distribution, metabolism, and excretion platform analyzed the pharmacokinetic properties. Results indicated that WLE had a higher phenolic content (264.7 ± 0.03 µg gallic acid equivalent [GAE]/mg) compared to ELE (135.3 ± 0.05 µg GAE/mg). Flavonoid content was greater in ELE (138.33 ± 0.002 µg catechin equivalent [CE]/mg) than in WLE (83.38 ± 0.002 µg CE/mg). Major compounds identified through high-performance liquid chromatography coupled to mass spectrometry included diethyl phthalate in ELE (92.31%) and butylated hydroxytoluene (BHT) in WLE (28.12%). Antioxidant activities measured by 2,2-di-phenyl-1-picrylhydrazyl, 2,2-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid), and ferric-reducing power assays showed promising results for both extracts. BHT demonstrated a better affinity for glutathione reductase and lipoxygenases, while vanillin showed a strong affinity for cyclooxygenase. Most compounds exhibited high intestinal absorption and are not P-glycoprotein substrates, indicating potential for oral medication. Finally, Mim extracts contain diverse compounds that contribute to their notable antioxidant activity.https://doi.org/10.1515/chem-2025-0178azadirachta indicascavenging activityhigh-performance liquid chromatographymolecular dockingrepublic of chad |
| spellingShingle | Brahim Mahamat Ousman Asraoui Fadoua Farihi Ayoub Bouhrim Mohamed Boussaoudi Ibtissam El Ismaili Soumaya Herqash Rashed N. Shahat Abdelaaty A. Otchom Brahim Boy Saoud Younes Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in silico studies Open Chemistry azadirachta indica scavenging activity high-performance liquid chromatography molecular docking republic of chad |
| title | Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in
silico studies |
| title_full | Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in
silico studies |
| title_fullStr | Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in
silico studies |
| title_full_unstemmed | Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in
silico studies |
| title_short | Phytochemical analysis and antioxidant activity of Azadirachta indica A. Juss from the Republic of Chad: in vitro and in
silico studies |
| title_sort | phytochemical analysis and antioxidant activity of azadirachta indica a juss from the republic of chad in vitro and in silico studies |
| topic | azadirachta indica scavenging activity high-performance liquid chromatography molecular docking republic of chad |
| url | https://doi.org/10.1515/chem-2025-0178 |
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