Quantum-Chemistry based design of halobenzene derivatives with augmented affinities for the HIV-1 viral G4/C16 base-pair

Autor: Perla El Darazi, Léa El Khoury, Krystel El Hage, Richard G. Maroun, Zeina Hobaika, Jean-Philip Piquemal, Nohad Gresh

Publikováno v: Frontiers in Chemistry
Frontiers in Chemistry, 2020, 8, pp.440. ⟨10.3389/fchem.2020.00440⟩
Theoretical and Computational Chemistry
Frontiers in Chemistry, Vol 8 (2020)
Frontiers in Chemistry, Frontiers Media, 2020, 8, pp.440. ⟨10.3389/fchem.2020.00440⟩

International audience; The HIV-1 integrase (IN) is a major target for the design of novel anti-HIV inhibitors. Among these, three inhibitors which embody a halobenzene ring derivative (HR) in their structures are presently used in clinics. High-reso

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::240a3f35d344c8e11ee85b2c3b7cb41d
http://arxiv.org/abs/1911.11100

Intermolecular interactions in the crystal structures of potential HIV-1 integrase inhibitors

Autor: Jaroslaw Polanski, Marc Le Bret, Robert Musiol, Wojciech Nitek, Jean-François Mouscadet, Katarzyna Majerz-Maniecka, Barbara J. Oleksyn

Publikováno v: Bioorganic & Medicinal Chemistry Letters. 16:1005-1009

2-[(2,5-dichloro-4-nitro-phenylamino)-methoxy-methyl]-8-hydroxy-quinoline 1 and 2-methyl-quinoline-5,8-dione-5-oxime 2 were obtained as potential HIV-1 integrase inhibitors and analyzed by X-ray crystallography. Semiempirical theoretical calculations

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cf1115f750e51f28f064d7f14b7aea5
https://doi.org/10.1016/j.bmcl.2005.10.083

The first total synthesis of lamellarin α 20-sulfate, a selective inhibitor of HIV-1 integrase

Autor: Tomohiro Yamaguchi, Fumito Ishibashi, Masatomo Iwao, Tsutomu Fukuda

Publikováno v: Tetrahedron Letters. 47(22):3755-3757

The first total synthesis of lamellarin α 20-sulfate (1), a selective inhibitor of HIV-1 integrase, has been completed. The lamellarin α core in which 13-OH and 20-OH were differentially protected by isopropyl and benzyl groups, respectively, was c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ff9d8a10791227d06dfb383cc7ce31d
https://nagasaki-u.repo.nii.ac.jp/records/18289

Palladium-Catalysed Carbon–Carbon Coupling Reactions : Focusing on Microwave Heating, Low Catalyst Concentrations, Aqueous Conditions, Regioselectivity and Medicinal Chemistry Applications

Autor: Arvela, Riina K

It is widely accepted that palladium is one of the most useful catalysts in organic chemistry, and many palladium(0)-catalysed carbon–carbon bond-forming reactions have been developed over the years. In addition, the ever-growing need for more envi

Externí odkaz: http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-99776

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