Results 61 to 70 of about 336,807 (309)

Decoys for Docking [PDF]

Journal of Medicinal Chemistry, 2005
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting nonbinding molecules over true ligands. These false-positive hits may be considered "
Alan P, Graves, Ruth, Brenk, Brian K, Shoichet   +2 more
openaire   +2 more sources

Exploring an Alternative to mRNA Vaccine Cold Chain Storage: MRNA‐Lipid Nanoparticle Stability When Dried in a Polymer Matrix

Advanced Functional Materials, EarlyView.
The nanostructure, size, and function of mRNA‐loaded lipid nanoparticles are evaluated before drying, within polymer microneedles, and after rehydration. The results reveal the polymer and LNP loadings required to recover nanostructure and preserve the delivery performance in dry‐state formulations.
Brendan P. Dyett, Shahad K. Alsaiari, John L. Daristotle, Timothy A. Forster, Alicia Lau, Dhruv Varshney, Rania Afaneh, Andrew R. Hanna, Charles Sloane, David Mankus, Haitao Yu, Jiali Zhai, DongSoo Yun, Lisa H. Tostanoski, Abigail Lytton‐Jean, Dan H. Barouch, Charlotte E. Conn, Robert Langer, Ana Jaklenec, Calum J. Drummond   +19 more
wiley   +1 more source

Advanced Computational Pipeline for FAK Inhibitor Discovery: Combining Multiple Docking Methods with MD and QSAR for Cancer Therapy

Computation
Synthetic lethality, involving the simultaneous deactivation of two genes, disrupts cellular functions or induces cell death. This study examines its role in cancer, focusing on focal adhesion kinase and Neurofibromin 2.
Pinar Siyah
doaj   +1 more source

Blood Biomarkers and Surface‐Enhanced Raman Spectroscopy for Gout: A Comprehensive Review

Advanced Functional Materials, EarlyView.
Schematic illustrating gout disease progression from asymptomatic hyperuricemia to chronic tophaceous disease, highlighting the limitations of conventional imaging and biochemical diagnostics and the potential of engineered SERS platforms for ultrasensitive blood‐based detection of urate‐related biomarkers across disease stages, with the color gradient
Isuri Perera, Chiranjeevi Kanike, Appurva Tiwari, Hongyan Wu, Larry D. Unsworth, Ben Bin Xu, Xuehua Zhang   +6 more
wiley   +1 more source

Docking-Based Classification of SGLT2 Inhibitors

Molecules
Inhibitors of the Sodium/Glucose co-transporter 2 (SGLT2) have been evolving into an important contribution to the treatment of diabetes mellitus.
Ajouan Mazoudji, Gerhard F. Ecker
doaj   +1 more source

Budget Message of Governor George Docking to the Legislature of Kansas, 1958

, 1958
application/pdf January 14, 1958. Includes Message of Governor George Docking to the Special Session of the Kansas Legislature, April 21 ...
Kansas. Governor (1957-1961 : Docking)
core  

Integrated forward/reverse cross-docking

, 2018
10 problem instances for integrated forward/reverse cross-docking ...
Mohammad Mahdi Nasiri (3877450), Ali Rahbari (4176769)   +1 more
core   +1 more source

Multifunctional Gold Nanocluster‐Based PROTAC System for Targeted Degradation of Phosphorylated Tau and Modulation of Neuroinflammation in Alzheimer's Disease

Advanced Functional Materials, EarlyView.
We present a novel proteolysis‐targeting chimera (PROTAC) system conjugated to lipoic acid gold nanoclusters (PLANC), designed to degrade pTau, regulate inflammatory signaling, and effectively traverse the blood‐brain barrier (BBB). PLANC degraded pTau at various phosphorylation sites, with mechanistic studies confirming proteasome‐mediated degradation
Sarah Nevins, Callan D. McLoughlin, Wan‐Kyu Ko, Hye Kyu Choi, Brandon Conklin, Joshua B. Stein, Yannan Hou, Hongwon Kim, Rohan Khulbe, Ki‐Bum Lee   +9 more
wiley   +1 more source

New Lead Schiff Bases Predominantly Mediate Vasorelaxant Activity Through α₁ Receptor Blocking Activity

Biomolecules
Schiff bases synthesized in our laboratory have demonstrated pain-relieving effects through both peripheral and central nervous system pathways. Considering that centrally acting analgesics often affect the muscle tone of the gastrointestinal tract (GIT)
Zakia Subhan, Niaz Ali, Abid Ullah, Wajid Ali, Muhammad Nabi, Syed Wadood Ali Shah   +5 more
doaj   +1 more source

Protein Docking mit weichen Volumenmodellen

, 2003
Neumann S. Soft volume models for protein-protein docking. Bielefeld (Germany): Bielefeld University; 2003.Der Begriff "Protein Docking" beschreibt die Frage, ob und wie zwei gegebene Proteine interagieren, ausgehend von der 3D Struktur.
Neumann, Steffen
core