Results 91 to 100 of about 391,445 (298)
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach. [PDF]
, 2017 Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations.
Abagyan, Ruben +2 more
core +2 more sources
Advanced Healthcare Materials, EarlyView.Machine learning–guided engineering of a plectasin‐derived peptide yields DC05, a potent antimycobacterial candidate. Encapsulation into tuftsin‐functionalized mesoporous silica nanoparticles enhances intracellular delivery, stability, and activity against Mycobacterium tuberculosis while maintaining low cytotoxicity and minimal hemolysis. The combined
Christian S. Carnero Canales +12 more
wiley +1 more source
Advanced Healthcare Materials, EarlyView.Cerebral organoids are transforming brain research, yet the field remains fragmented. This comprehensive systematic review maps 738 studies published between 2014 and 2024 to uncover trends, gaps, and opportunities across neuroscience. Introducing OrganoidMap—an interactive, open‐access platform to explore and compare models—this work enables ...
Anna Wolfram +10 more
wiley +1 more source
Discovery of orexant and anorexant agents with indazole scaffold endowed with peripheral antiedema activity [PDF]
, 2019 CB1 receptors and endocannabinoids are integrated components of neuronal networks controlling different organism’s functions, such as appetite and food intake in the hypothalamus.
Dimmito, Marilisa P. +7 more
core +2 more sources
3D Soft Hydrogels Induce Human Mesenchymal Stem Cells “Deep” Quiescence
Advanced Healthcare Materials, EarlyView.Three‐dimensional soft hydrogels mimicking the bone marrow niche induce deep quiescence in human mesenchymal stem cells. Unlike 2D culture, 3D matrices halt proliferation, regulate cell‐cycle and quiescence markers, and downregulate mTORC1 signaling, preserving stem cell phenotype and therapeutic potential ex vivo.
David Boaventura Gomes +11 more
wiley +1 more source
Assessing molecular docking tools: understanding drug discovery and design
Future Journal of Pharmaceutical SciencesBackground In this twenty-first century, artificial intelligence and computational-based studies, i.e., pharmaceutical biotechnology, are more important in every field, even in the field of drug discovery, design, and development, and they should be for ...
Harendar Kumar Nivatya +8 more
doaj +1 more source
An Olfactory Receptor Pseudogene whose Function emerged in Humans [PDF]
, 2007 Human olfactory receptor, hOR17-210, is identified as a pseudogene in the human genome. Experimental data has shown however, that the gene product of cloned hOR17-210 cDNA was able to bind an odorant-binding protein and is narrowly tuned for excitation ...
Catherine Ronin +6 more
core +2 more sources
Advanced Materials, EarlyView.The field of polymer thermoelectrics is entering a new era, featuring breakthroughs in addressing the conventional performance disparity between p‐type and n‐type polymers, pioneering doping frontiers, and sophisticated decoupling strategies. This review explores innovations in molecular design and superior stabilities, bridging the gap from ...
Suhao Wang
wiley +1 more source
In Silico Approaches for Rational Drug Design and Potential Enzyme Inhibitors Discovery: A Mini-Review [PDF]
Journal of Advanced Biomedical SciencesThe field of drug design has undergone remarkable advancements with the advent of in silico methods, which utilize computational approaches that accelerate the discovery and development of novel therapeutics.
Morteza Sadeghi +2 more
doaj
Design, synthesis and biological evaluation of 1,3-dihydroxyxanthone derivatives: Effective agents against acetylcholinesterase [PDF]
, 2017 The present work concerns the rational design and development of new inhibitors of acetylcholinesterase (AChE) based on the privileged xanthone scaffold.
Accordino, Sebastian Roberto +5 more
core +1 more source