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  1. Article ; Online: Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activity.

    Alsakhen, Nada / Radwan, Enas S / Zafer, Imran / Abed Alfattah, Husam / Shamkh, Israa M / Rehman, Md Tabish / Shahwan, Moayad / Khan, Khalid Ali / Ahmed, Shimaa A

    Journal of biomolecular structure & dynamics

    2024  , Page(s) 1–21

    Abstract: Breast cancer poses a significant global challenge, prompting researchers to explore novel approaches for potential treatments. In this study, we investigated the binding free energy ( ... ...

    Abstract Breast cancer poses a significant global challenge, prompting researchers to explore novel approaches for potential treatments. In this study, we investigated the binding free energy (Δ
    Language English
    Publishing date 2024-01-28
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2024.2307445
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2093: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  2. Article ; Online: Encapsulation of ionic liquids inside cucurbiturils.

    Assaf, Khaleel I / Abed Alfattah, Husam / Eftaiha, Ala'a F / Bardaweel, Sanaa K / Alnajjar, Mohammad A / Alsoubani, Fatima A / Qaroush, Abdussalam K / El-Barghouthi, Musa I / Nau, Werner M

    Organic & biomolecular chemistry

    2020  Volume 18, Issue 11, Page(s) 2120–2128

    Abstract: Cucurbit[n]urils (CBn, n = 6-8) serve as molecular receptors for imidazolium-based ionic liquids (ILs) in aqueous solution. The amphiphilic nature of 1-alkyl-3-methylimidazolium guests (Cnmim), with a cationic imidazolium residue and a hydrophobic alkyl ... ...

    Abstract Cucurbit[n]urils (CBn, n = 6-8) serve as molecular receptors for imidazolium-based ionic liquids (ILs) in aqueous solution. The amphiphilic nature of 1-alkyl-3-methylimidazolium guests (Cnmim), with a cationic imidazolium residue and a hydrophobic alkyl chain, enabled their complexation with CBn through a combination of the hydrophobic effect and ion-dipole interactions. 1H NMR experiments revealed that the cavity of CBn can host the hydrophobic chain of the ILs, while one of the carbonyl rims served as a docking site for the imidazolium ring. The structure of the complexes was further analyzed by molecular dynamics (MD) simulations, which indicated that the cavity of CB6 can accommodate up to 5 carbon atoms, while the larger cavity of CB7 and CB8 can encapsulate longer alkyl chains in folded conformations. Isothermal titration calorimetry (ITC) experiments provided up to micromolar affinity of ILs to CBn in aqueous solution, which was independently quantified by indicator displacement titrations.
    Language English
    Publishing date 2020-03-04
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2097583-1
    ISSN 1477-0539 ; 1477-0520
    ISSN (online) 1477-0539
    ISSN 1477-0520
    DOI 10.1039/d0ob00001a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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