Results 71 to 80 of about 109,425 (326)

Programmable DNA‐Peptide Hybrid Nanostructures for Potent Neutralization of Multiple Influenza a Virus Subtypes

Advanced Functional Materials, EarlyView.
A multivalent antiviral platform based on honeycomb‐shaped DNA nanostructures (HC–Urumin) is developed to enhance the potency and breadth of the host defense peptide Urumin. Through spatially patterned trimeric presentation, HC–Urumin disrupts influenza A virus entry, improves cell viability, and reduces disease severity in vivo‐offering a modular and ...
Saurabh Umrao, Abhisek Dwivedy, Payton L. Haak, Dhanush Gandavadi, Laurie A. Rund, Chi Chen, Vineetha Mareddy, Lifeng Zhou, Jinwei Duan, Ying Fang, Andrew J. Steelman, Xing Wang   +11 more
wiley   +1 more source

Identification of hepta-histidine as a candidate drug for Huntington's disease by in silico-in vitro- in vivo-integrated screens of chemical libraries. [PDF]

, 2016
We identified drug seeds for treating Huntington's disease (HD) by combining in vitro single molecule fluorescence spectroscopy, in silico molecular docking simulations, and in vivo fly and mouse HD models to screen for inhibitors of abnormal ...
Chen, Xigui, Finkbeiner, Steven, Fujita, Kyota, Homma, Hidenori, Ikura, Teikichi, Imamura, Tomomi, Ito, Nobutoshi, Kaye, Julia, Mao, Ying, Motoki, Kazumi, Nakabayashi, Makoto, Okano, Hideyuki, Okazawa, Hitoshi, Tagawa, Kazuhiko, Tamura, Takuya, Taniguchi, Juliana Bosso, Tomii, Kentaro, Yamada, Kazunori   +17 more
core   +2 more sources

Network pharmacology and bioinformatics approach to unravel the mechanism of Xiao-chai-hu-tang herbal formula in tinnitus treatment

Heliyon
Background: Tinnitus treatment remains a global challenge, and current therapeutic approaches are still controversial. This study aims to elucidate the potential mechanisms of Xiao-Chai-Hu-Tang (XCHT) in treating tinnitus through the analysis of network ...
Shihan Liu, Xintong Zhou, Lingli Zhang, Wenlong Luo   +3 more
doaj   +1 more source

Redefining Therapies for Drug‐Resistant Tuberculosis: Synergistic Effects of Antimicrobial Peptides, Nanotechnology, and Computational Design

Advanced Healthcare Materials, EarlyView.
Antimicrobial peptide (AMP)‐loaded nanocarriers provide a multifunctional strategy to combat drug‐resistant Mycobacterium tuberculosis. By enhancing intracellular delivery, bypassing efflux pumps, and disrupting bacterial membranes, this platform restores phagolysosome fusion and macrophage function.
Christian S. Carnero Canales, Jessica Ingrid Marquez Cazorla, Renzo Marianito Marquez Cazorla, Aline Martins dos Santos, Jonatas Lobato Duarte, Letícia Oliveira Catarin Nunes, Túlio Custódio Reis, Lara Cerazi Salvador, Norival Alves Santos‐Filho, Rafael Miguel Sábio, Hélder A. Santos, Fernando Rogério Pavan   +11 more
wiley   +1 more source

CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures

, 2018
Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input.
Ciemny, Maciej Pawel, Gierut, Aleksandra Maria, Kmiecik, Sebastian, Kolinski, Andrzej, Kurcinski, Mateusz, Kuriata, Aleksander, Oleniecki, Tymoteusz   +6 more
core   +1 more source

Multi-heme Cytochromes in Shewanella oneidensis MR-1:Structures, functions and opportunities [PDF]

, 2015
Multi-heme cytochromes are employed by a range of microorganisms to transport electrons over distances of up to tens of nanometers. Perhaps the most spectacular utilization of these proteins is in the reduction of extracellular solid substrates ...
Brown JP, Collins MJ, Coursolle D, Fonseca BM, Jochen Blumberger, Julea N. Butt, Kevin M. Rosso, Marian Breuer, Song Y, Teixeira M   +9 more
core   +1 more source

Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach

Heliyon
The impact of H. pylori resistance on patient's treatment failure is a major concern. Therefore, the development of novel or alternative therapies for H. pylori is urgently needed.
Alfizah Hanafiah, Siti Nur Arifah Abd Aziz, Zarith Nameyrra Md Nesran, Xavier Chee Wezen, Mohd Fadzli Ahmad   +4 more
doaj   +1 more source

Enhancing the Antipsychotic Effect of Risperidone by Increasing Its Binding Affinity to Serotonin Receptor via Picric Acid: A Molecular Dynamics Simulation

Pharmaceuticals, 2022
The aim of this study was to assess the utility of inexpensive techniques in evaluating the interactions of risperidone (Ris) with different traditional π-acceptors, with subsequent application of the findings into a Ris pharmaceutical formulation with ...
Majid Alhomrani, Walaa F. Alsanie, Abdulhakeem S. Alamri, Hussain Alyami, Hamza Habeeballah, Heba A. Alkhatabi, Raed I. Felimban, John M. Haynes, Sonam Shakya, Bassem M. Raafat, Moamen S. Refat, Ahmed Gaber   +11 more
doaj   +1 more source

Interfacial Bioengineering of Dynamic Networks Hybrid Hydrogel for Programmed Intervention in Oral Precancerous Epithelial States

Advanced Healthcare Materials, EarlyView.
This study develops a dual‐bioinspired hydrogel, MSA@PGel (macrophage membrane‐coated and salvianolic acid B/5‐aminolevulinic acid co‐loaded liposomes embedded in a polydopamine‐based gel), that integrates macrophage membrane‐mediated active targeting and mussel‐inspired wet adhesion for programmed intervention in oral precancerous lesions.
Xiaoxian Zhao, Ao Zheng, Zhengyan Zhao, Qilin Li, Tianhao Wan, Tanjun Deng, Ying Zhang, Lingyan Cao, Lan Wu   +8 more
wiley   +1 more source

Exploration of Reaction Pathways and Chemical Transformation Networks

, 2018
For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly.
Reiher, Markus, Simm, Gregor N., Vaucher, Alain C.   +2 more
core   +1 more source