Synthesis of New Pyrazolo[3,4- d ]pyrimidine Derivatives: NMR Spectroscopic Characterization, X-Ray, Hirshfeld Surface Analysis, DFT, Molecular Docking, and Antiproliferative Activity Investigations.

Autor: El Hafi M; Faculty of Medicine and Pharmacy, Mohammed First University, Oujda 60000, Morocco.; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco., Anouar EH; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Lahmidi S; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco., Boulhaoua M; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco.; Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány P. sétány 1/A, 1117 Budapest, Hungary., Loubidi M; Department of Chemistry, Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech 40000, Morocco., Alanazi AS; Department of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, Riyadh 11671, Saudi Arabia., Filali I; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Hefnawy M; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia., El Ghayati L; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco., Mague JT; Department of Chemistry, Tulane University, New Orleans, LA 70118, USA., Essassi EM; Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat 10106, Morocco.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2024 Oct 24; Vol. 29 (21). Date of Electronic Publication: 2024 Oct 24.

Antibacterial, antibiofilm, and chemical profiles of Ammi visnaga L. and Foeniculum vulgare mill. Essential oils, and ADMET, molecular docking investigation of essential oils major components.

Autor: Khammassi M; Laboratory of Management and Valorization of Forest Resources, National Institute of Researches on Rural Engineering, Water and Forests, P.B. 10, Ariana 2080, Tunisia., Polito F; Department of Pharmacy, University of Salerno, Via San Giovanni Paolo II, 132, 84084 Fisciano, Italy. Electronic address: fpolito@unisa.it., Caputo L; Department of Pharmacy, University of Salerno, Via San Giovanni Paolo II, 132, 84084 Fisciano, Italy. Electronic address: lcaputo@unisa.it., Abidi A; Laboratory of Functional Physiology and Valorization of Bio-Resources of the Higher Institute of Biotechnology of Béja, University of Jendouba, Tunisia., Mabrouk Y; Laboratory of Biotechnology and Nuclear Technology, National Center of Nuclear Science and Technology, Sidi Thabet, B.P. 72, Ariana 2020, Tunisia. Electronic address: mabrouk.yassine@cnstn.rnrt.tn., Nazzaro F; Institute of Food Science, CNR-ISA, Via Roma, 64, 83100 Avellino, Italy. Electronic address: mena@isa.cnr.it., Fratianni F; Institute of Food Science, CNR-ISA, Via Roma, 64, 83100 Avellino, Italy. Electronic address: florinda.fratianni@isa.cnr.it., Anouar EH; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Al-Kharj, Saudi Arabia., Snoussi M; Department of Biology, College of Science, University of Ha'il, P.O. Box 2440, Hail 2440, Saudi Arabia; Laboratory of Genetics, Biodiversity and Valorization of Bio-Resources (LR11ES41), Higher Institute of Biotechnology of Monastir, University of Monastir, Avenue Tahar Haddad, BP74, Monastir 5000, Tunisia. Electronic address: m.snoussi@uoh.edu.sa., Noumi E; Department of Biology, College of Science, University of Ha'il, P.O. Box 2440, Hail 2440, Saudi Arabia; Laboratory of Genetics, Biodiversity and Valorization of Bio-Resources (LR11ES41), Higher Institute of Biotechnology of Monastir, University of Monastir, Avenue Tahar Haddad, BP74, Monastir 5000, Tunisia. Electronic address: eb.noumi@uoh.edu.sa., Amri I; Laboratory of Management and Valorization of Forest Resources, National Institute of Researches on Rural Engineering, Water and Forests, P.B. 10, Ariana 2080, Tunisia; Laboratory of Biotechnology and Nuclear Technology, National Center of Nuclear Science and Technology, Sidi Thabet, B.P. 72, Ariana 2020, Tunisia., De Feo V; Department of Pharmacy, University of Salerno, Via San Giovanni Paolo II, 132, 84084 Fisciano, Italy; Institute of Food Science, CNR-ISA, Via Roma, 64, 83100 Avellino, Italy. Electronic address: defeo@unisa.it.

Publikováno v: Fitoterapia [Fitoterapia] 2024 Sep; Vol. 177, pp. 106047. Date of Electronic Publication: 2024 Jun 03.

In Vitro and Molecular Docking Evaluation of the Anticholinesterase and Antidiabetic Effects of Compounds from Terminalia macroptera Guill. & Perr. (Combretaceae).

Autor: Feunaing RT; Department of Chemistry, Faculty of Sciences, University of Ngaoundere, Ngaoundere P.O. Box 454, Cameroon., Tamfu AN; Department of Chemical Engineering, School of Chemical Engineering and Mineral Industries, University of Ngaoundere, Ngaoundere P.O. Box 454, Cameroon.; Department of Medical Services and Techniques, Koycegiz Vocational School of Health Services, Mugla Sitki Kocman University, 48800 Mugla, Turkey.; Department of Chemistry, Faculty of Science, Mugla Sitki Kocman University, 48000 Mugla, Turkey.; Department of Chemistry, Physics and Environment, Faculty of Sciences and Environment, 'Dunarea de Jos University', 47 Domneasca Str., 800008 Galati, Romania., Gbaweng AJY; Department of Chemistry, Faculty of Sciences, University of Ngaoundere, Ngaoundere P.O. Box 454, Cameroon., Kucukaydin S; Department of Medical Services and Techniques, Koycegiz Vocational School of Health Services, Mugla Sitki Kocman University, 48800 Mugla, Turkey.; Department of Chemistry, Faculty of Science, Mugla Sitki Kocman University, 48000 Mugla, Turkey., Tchamgoue J; Department of Chemistry, Higher Teacher Training College, The University of Yaoundé 1, Yaoundé P.O. Box 47, Cameroon.; Department of Organic Chemistry, Faculty of Science, University of Yaounde 1, Yaoundé P.O. Box 812, Cameroon., Lannang AM; Department of Chemical Engineering, School of Chemical Engineering and Mineral Industries, University of Ngaoundere, Ngaoundere P.O. Box 454, Cameroon., Lenta BN; Department of Chemistry, Higher Teacher Training College, The University of Yaoundé 1, Yaoundé P.O. Box 47, Cameroon., Kouam SF; Department of Chemistry, Higher Teacher Training College, The University of Yaoundé 1, Yaoundé P.O. Box 47, Cameroon., Duru ME; Department of Chemistry, Faculty of Science, Mugla Sitki Kocman University, 48000 Mugla, Turkey., Anouar EH; Department of Chemistry, College of Sciences and Humanities in Al-Kharj, Prince Sattam bin Ab-dulaziz University, Al-Kharj P.O. Box 83, Saudi Arabia., Talla E; Department of Chemistry, Faculty of Sciences, University of Ngaoundere, Ngaoundere P.O. Box 454, Cameroon.; Department of Chemical Engineering, School of Chemical Engineering and Mineral Industries, University of Ngaoundere, Ngaoundere P.O. Box 454, Cameroon., Dinica RM; Department of Chemistry, Physics and Environment, Faculty of Sciences and Environment, 'Dunarea de Jos University', 47 Domneasca Str., 800008 Galati, Romania.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2024 May 23; Vol. 29 (11). Date of Electronic Publication: 2024 May 23.

Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetin.

Autor: Anouar EH; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam bin Abdulaziz University, Saudi Arabia.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Dec 20, pp. 1-14. Date of Electronic Publication: 2023 Dec 20.

Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.

Autor: Ait Elmachkouri Y; Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco., Irrou E; Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco., Thiruvalluvar AA; Kunthavai Naacchiyaar Government Arts College for Women (Autonomous), Thanjavur, Tamil Nadu, India., Anouar EH; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia., Varadharajan V; Department of Biotechnology, PSG College of Technology, Coimbatore, Tamil Nadu, India., Ouachtak H; Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco., Mague JT; Department of Chemistry, Tulane University, New Orleans, LA, USA., Sebbar NK; Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco.; Laboratory of Heterocyclic Organic Chemistry, Pharmacochemistry Competence, Center, Drug Science Research Center, Faculty of Sciences, Mohammed V University, Rabat, Morocco., Essassi EM; Laboratory of Heterocyclic Organic Chemistry, Pharmacochemistry Competence, Center, Drug Science Research Center, Faculty of Sciences, Mohammed V University, Rabat, Morocco., Labd Taha M; Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Oct 10, pp. 1-19. Date of Electronic Publication: 2023 Oct 10.