Results 111 to 120 of about 410,977 (285)

Extraction, identification and molecular docking studies evaluation of Momordica tuberosa (Roxb) against Anopheles [PDF]

, 2021
Muthumani Mamudha, J. Anbu Jeba Sunilson
openalex   +1 more source

Spider Silk–Integrated Biomimetic Micropillars With Dual Adhesion for Improved Wound Hemostasis and Healing

Advanced Materials Technologies, EarlyView.
The patch mimics the dual physicochemical adhesion mechanisms of gecko toe micropillars and spider silk proteins, enabling strong interfacial bonding via partially cured micropillars. Its facile fabrication allows customization for precision medicine, while its motion responsiveness offers potential for real‐time wound monitoring.
Chengxin Luan, Meng Wei, Xinran Chen, Ni Gan, Bingbing Gao   +4 more
wiley   +1 more source

Biocatalytic Construction of a Chemical Exchange Saturation Transfer Magnetic Resonance Imaging Nucleoside Probe: Synthesis and Evaluation of 5‐Methyl‐5,6‐Dihydrothymidine

Advanced Synthesis &Catalysis, EarlyView.
Al‐Hilfi et al. present a biocatalytic strategy for synthesizing 5‐methyl‐5,6‐dihydrothymidine (5‐MDHT), a sensitive MRI contrast agent. The study demonstrates that recombinant enzyme catalysis offers an efficient, sustainable, and eco‐friendly alternative to traditional chemical synthesis for producing clinically relevant imaging probes.
Aimen Al‐Hilfi, E. Alejandro Castellanos Franco, Connor J. Grady, Zinia Mohanta, Michael T. McMahon, Milana Bazayeva, Zhen Li, Kenneth M. Merz Jr., Assaf A. Gilad   +8 more
wiley   +1 more source

Engineering of an Ancestral McbA with Enhanced Domain Mobility Extends Biocatalytic Amide Synthesis Scope

Advanced Synthesis &Catalysis, EarlyView.
We show how engineered ancestral amide bond synthetases (ABSs) together with cofactor recycling using a single polyphosphate kinase paves the way for chemoenzymatic synthesis of pharmacophores. The figure illustrates how ancestral ABS has a more flexible C‐terminal domain, which is associated with enhanced catalytic performance and expanded amine scope.
Elisabeth Söderberg, Marianne R. Molenaar, Katarzyna Zaczyk, Magnus Johansson, Martin A. Hayes, Per‐Olof Syrén   +5 more
wiley   +1 more source

Modeling EphB4-EphrinB2 protein–protein interaction using flexible docking of a short linear motif

BioMedical Engineering OnLine, 2017
Background Many protein–protein interactions are mediated by a short linear motif. Usually, amino acid sequences of those motifs are known or can be predicted. It is much harder to experimentally characterize or predict their structure in the bound form.
Maciej Pawel Ciemny, Mateusz Kurcinski, Maciej Blaszczyk, Andrzej Kolinski, Sebastian Kmiecik   +4 more
doaj   +1 more source

Asymmetric Synthesis of Atropisomeric Amines via Transaminase‐Catalyzed Dynamic Kinetic Resolution

Advanced Synthesis &Catalysis, EarlyView.
A dynamic kinetic resolution approach is developed for the atroposelective synthesis of heterobiaryl primary amines. Using transaminases and leveraging Lewis acid‐base interactions to induce racemization, a variety of axially chiral primary amines are produced in high yields and enantioselectivities.
Juan M. Coto‐Cid, Patricia Rodríguez‐Salamanca, Christian M. Heckmann, Caroline E. Paul, Joaquín López‐Serrano, Rosario Fernández, José M. Lassaletta, Valentín Hornillos, Gonzalo de Gonzalo   +8 more
wiley   +1 more source

Data on docking and dynamics simulation of Entamoeba histolytica EhADH (an ALIX protein) and lysobisphosphatidic acid

Data in Brief, 2016
Entamoeba histolytica is the protozoan agent responsible for human amoebiasis. Trophozoites are highly phagocytic cells and the lysobisphosphatidic acid (LBPA) is involved in endocytosis.
Silvia Castellanos-Castro, Sarita Montaño, Esther Orozco   +2 more
doaj   +1 more source

Large Scale In Silico Screening on Grid Infrastructures [PDF]

, 2006
Large-scale grid infrastructures for in silico drug discovery open opportunities of particular interest to neglected and emerging diseases. In 2005 and 2006, we have been able to deploy large scale in silico docking within the framework of the WISDOM ...
Breton, V., Chen, H. -Y., Ho, L. -Y., Hofmann, M., Jacq, N., Kasam, V., Lee, H. -C., Legré, Y., Lin, S. -C., Maass, A., Medernach, E., Merelli, I., Milanesi, L., Rastelli, G., Reichstadt, M., Salzemann, J., Schwichtenberg, H., Sridhar, M., Wu, Y. -T., Zimmermann, M.   +19 more
core   +2 more sources

Structural Characterization and AI‐Enhanced Modeling of a Broadly Neutralizing Camelid Antibody Against SARS‐CoV‐2 Variants

Advanced Therapeutics, EarlyView.
This study characterizes a camelid antibody (B10) with potent neutralizing activity against SARS‐CoV‐2 Wildtype and Omicron variants. Through binding assays, epitope mapping, pseudovirus neutralization, and AI‐driven modeling, the antibody is shown to target conserved RBD regions in a closed Spike conformation.
Katja Hanack, Urszula Orzeł, Anja Schlör, Sourabh Mehta, Anandi Krishnan, Slawomir Filipek, Rushika Patel, Madhvi Joshi, Markus Hoffmann, Stefan Pöhlmann, Chaitanya Joshi, Dorian Liepmann, Ramasamy Paulmurugan, Venkatesan Renugopalakrishnan   +13 more
wiley   +1 more source

HERV‐K TM Subunit Elicits CD8+ T Cell Anergy and Tumor Immune Evasion via Targeting CD3 Coreceptor ε in AML and PDAC

Advanced Science, EarlyView.
Novel viral immune checkpoint K‐TM subunit is aberrantly expressed in CD8+ T cells and enriched in sera of cancer patients, inducing CD8+ T cell anergy and eliciting potent tumor immune escape in mouse model. Mechanistically, K‐TM directly targets and induces the phosphorylation of CD3ε receptor.
Mengyuan Li, Shuwen Zheng, Qinyuan Gong, Zhaoxing Wu, Wen Lei, Wanyue Cao, Ping Wang, Xuzhao Zhang, Wenbin Qian, Yun Liang, Ying Lu, Fenglin Li, Qi Zhang, Rongzhen Xu   +13 more
wiley   +1 more source