Challenges in computational biochemistry : solvation and ligand binding.
Jens Carlsson
openalex +1 more source
Nano‐ and Micro‐Sized Solid Materials Used as Antiviral Agents
Due to the rise of viral infections in humans and possible viral outbreaks, the use of nano‐ or micro‐sized materials as antiviral agents is rapidly increasing. This review explores their antiviral properties against RNA and DNA viruses, either as a prevention or a treatment tool, by delving into their mechanisms of action and how to properly assess ...
Orfeas‐Evangelos Plastiras +6 more
wiley +1 more source
Identification of Sulfonamide-Vinyl Sulfone/Chalcone and Berberine-Cinnamic Acid Hybrids as Potent DENV and ZIKV NS2B/NS3 Allosteric Inhibitors. [PDF]
Mahalapbutr P +9 more
europepmc +1 more source
Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation
Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv +9 more
wiley +1 more source
In vitro and in silico evaluation of synergistic antioxidant potential in a polyherbal formulation from Abelmoschus esculentus and Telfairia occidentalis. [PDF]
Nwankwo CI +8 more
europepmc +1 more source
Bioprinting Organs—Science or Fiction?—A Review From Students to Students
Bioprinting artificial organs has the potential to revolutionize the medical field. This is a comprehensive review of the bioprinting workflow delving into the latest advancements in bioinks, materials and bioprinting techniques, exploring the critical stages of tissue maturation and functionality.
Nicoletta Murenu +18 more
wiley +1 more source
Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. [PDF]
Righetti G +5 more
europepmc +1 more source
Osteoporosis from long‐term glucocorticoid (GIOP) use elevates susceptibility to fracture. This study shows GCs impair ascorbic acid (AA) metabolism in osteoblasts, collagen synthesis and extracellular matrix integrity. AA enhanced collagen biochemical and mechanical properties and restored osteoblast and endothelial function. These findings underscore
Micaila DE Curtis +19 more
wiley +1 more source
In Silico Identification of Potential Biomarker-Binding Proteins for Noninvasive Diagnosis of Buruli Ulcer Disease. [PDF]
Akanko EA +8 more
europepmc +1 more source
A human cell‐based microphysiological system integrates engineered muscle tissues with an inflamed adipose–macrophage niche to model obese microenvironment‐induced muscle dysfunction. Muscle contraction is quantified by pillar deflection coupled with computational stiffness estimation. Secretome and transcriptomic profiling reveal inflammation‐mediated
Seunggyu Kim +16 more
wiley +1 more source

