Výsledky vyhledávání - "Soleymane Koné"

Cooperativity of Three Fragments : Protonated or Methylated Makaluvamine, Water Molecule and Glutamic Acid Molecule in Twelve Complexes and their Stabilities. A Study Performed at B3LYP/6-31+G(D,P) Level

Autor: El-Hadji Sawaliho Bamba, Sékou Diomandé, Soleymane Koné

Publikováno v: Global Journal of Science Frontier Research. :1-10

Makaluvamines are used by intercalation in the DNA for the treatment of cancer cells such as colon cancer, prostate cancer, breast cancer.... This work studies energetic and geometrical parameters of stability of the 3-body complexes formed by six Ma

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::36989d743bfaff32969368cae87e9ce0
https://doi.org/10.34257/gjsfrbvol20is1pg1

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Theoretical Study by Density Functional Theory Method (DFT) of Stability, Tautomerism, Reactivity and Prediction of Acidity of Quinolein-4-One Derivatives

Autor: Boka Robert N’Guessan, Amon Benjamine Assoma, Mamadou Guy-Richard Koné, Soleymane Koné, Mawa Koné, Affoué Lucie Bédé, Kicho Denis Yapo, El-Hadji Sawaliho Bamba

Publikováno v: Computational Chemistry. :57-70

A theoretical study of the reactivity of quinoline-4-one derivatives is undertaken in order to understand the involved mechanisms. The calculations were carried out in gas phase and in N, N-Dimethylformamide (DMF) solution. The Density Functional The

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::35c55a50a74f75b63b0194943902b5dc
https://doi.org/10.4236/cc.2018.63005

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Study of molecular interactions by hydrogen bond of charged forms of makaluvamines and complex stability with H2O and glutamic acid (Glu Ac) by the theory of the functional of density (B3LYP)

Autor: El-Hadji Sawaliho Bamba, Soleymane Koné, Affoué Lucie Bédé, Sékou Diomandé

Publikováno v: Journal of Molecular Modeling. 25

This work was undertaken to understand the mode of interaction of makaluvamines, a class of marine pyrroloiminoquinone alkaloids isolated from sponges of the genus Zyzzya, used in the treatment of several human cancer cell lines. This analysis was do

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::93be8bdd89d278fe6f9ca7454a580a1c
https://doi.org/10.1007/s00894-019-4231-0

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Study of molecular interactions by hydrogen bond of charged forms of makaluvamines and complex stability with H

Autor: Sékou, Diomandé, Affoué Lucie, Bédé, Soleymane, Koné, El-Hadji Sawaliho, Bamba

Publikováno v: Journal of molecular modeling. 25(12)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::936718f0b220e805640e437d5748a14c
https://pubmed.ncbi.nlm.nih.gov/31720844

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Hydrogen-bonding properties of galanthamine: an investigation through crystallographic database observations and computational chemistry

Autor: Nicolas Galland, Jean-Yves Le Questel, Soleymane Koné, El Hadji Sawaliho Bamba

Publikováno v: Acta Crystallographica Section B Structural Science. 64:338-347

The hydrogen-bonding properties of galanthamine have been investigated experimentally from a thorough analysis of crystallographic data retrieved from the Protein Data Bank and Cambridge Structural Database databases and theoretically through ab init

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1166ab2237c54952b2150df749537249
https://doi.org/10.1107/s010876810800709x

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Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry

Autor: Nicolas Galland, Soleymane Koné, Jean-Yves Le Questel

Publikováno v: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2012, 26 (10), pp.1111-1126. ⟨10.1007/s10822-012-9602-x⟩

A quantitative analysis of the interaction sites of the anti-Alzheimer drug galanthamine with molecular probes (water and benzene molecules) representative of its surroundings in the binding site of acetylcholinesterase (AChE) has been realized throu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::146692864b4152f5159669d43902fef9
https://pubmed.ncbi.nlm.nih.gov/22972560

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Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation

Autor: Jérôme Graton, Nicolas Galland, Catherine Guillou, Jean-Yves Le Questel, Christian Laurence, Soleymane Koné, Bertrand Illien

Publikováno v: Chemical Physics
Chemical Physics, Elsevier, 2006, 328(1-3), pp.307-317. ⟨10.1016/j.chemphys.2006.07.024⟩
Chemical Physics, Elsevier, 2006, 328, pp.307-317

The conformational preferences and structural features of neutral and protonated galanthamine have been investigated experimentally, using data retrieved from the CSD and PDB databases, and theoretically, through various quantum chemical calculations

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2dcb6afc76cbde0e2034cd8a0538c7db
https://hal.archives-ouvertes.fr/hal-00112118

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