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Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction.
Al-Wahaibi LH, Macías MA, Blacque O, Zondagh LS, Joubert J, Thamotharan S, Percino MJ, Mohamed AAB, El-Emam AA. Al-Wahaibi LH, et al. Among authors: blacque o. Molecules. 2022 Oct 31;27(21):7403. doi: 10.3390/molecules27217403. Molecules. 2022. PMID: 36364230 Free PMC article.
π-Radical Cascade to a Chiral Saddle-Shaped Peropyrene.
Bernhardt A, Čavlović D, Mayländer M, Blacque O, Cruz CM, Richert S, Juríček M. Bernhardt A, et al. Among authors: blacque o. Angew Chem Int Ed Engl. 2024 Apr 2;63(14):e202318254. doi: 10.1002/anie.202318254. Epub 2024 Feb 29. Angew Chem Int Ed Engl. 2024. PMID: 38278766
Antifungal and Antiparasitic Activities of Metallocene-Containing Fluconazole Derivatives.
Lin Y, Scalese G, Bulman CA, Vinck R, Blacque O, Paulino M, Ballesteros-Casallas A, Pérez Díaz L, Salinas G, Mitreva M, Weil T, Cariou K, Sakanari JA, Gambino D, Gasser G. Lin Y, et al. Among authors: blacque o. ACS Infect Dis. 2024 Mar 8;10(3):938-950. doi: 10.1021/acsinfecdis.3c00577. Epub 2024 Feb 8. ACS Infect Dis. 2024. PMID: 38329933
Investigating the Cytotoxicity of Ru(II) Polypyridyl Complexes by Changing the Electronic Structure of Salicylaldehyde Ligands.
Taghizadeh Shool M, Amiri Rudbari H, Cuevas-Vicario JV, Rodríguez-Rubio A, Stagno C, Iraci N, Efferth T, Omer EA, Schirmeister T, Blacque O, Moini N, Sheibani E, Micale N. Taghizadeh Shool M, et al. Among authors: blacque o. Inorg Chem. 2024 Jan 15;63(2):1083-1101. doi: 10.1021/acs.inorgchem.3c03414. Epub 2023 Dec 29. Inorg Chem. 2024. PMID: 38156413 Free PMC article.
A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking.
Al-Wahaibi LH, Alagappan K, Gomila RM, Blacque O, Frontera A, Percino MJ, El-Emam AA, Thamotharan S. Al-Wahaibi LH, et al. Among authors: blacque o. RSC Adv. 2023 Nov 21;13(48):34064-34077. doi: 10.1039/d3ra07169c. eCollection 2023 Nov 16. RSC Adv. 2023. PMID: 38019986 Free PMC article.
229 results