Results 41 to 50 of about 96,143 (246)

On unique extension of time changed reflecting Brownian motions [PDF]

, 2008
Let $D$ be an unbounded domain in $\RR^d$ with $d\geq 3$. We show that if $D$ contains an unbounded uniform domain, then the symmetric reflecting Brownian motion (RBM) on $\overline D$ is transient.
Chen, Zhen-Qing, Fukushima, Masatoshi
core   +5 more sources

ADMET-PrInt: Evaluation of ADMET Properties: Prediction and Interpretation

Journal of Chemical Information and Modeling
Great progress in the development of computational strategies for drug design applications has revolutionized the process of searching for new drugs. Although the focus of in silico strategies is still put on the provision of the desired activity of a compound to the considered target, characterization of a compound in terms of its physicochemical and ...
Ewelina Jamrozik, Marek Śmieja, Sabina Podlewska   +2 more
openaire   +3 more sources

Respiratory Organ‐on‐a‐Chip for Disease Modeling: From Architecture to Functional Integration

Advanced Healthcare Materials, EarlyView.
Respiratory organ‐on‐a‐chip (ROC) models capture key mechanical and cellular cues of the human respiratory system, enabling quantitative dissection of disease mechanisms. This review links ROC architectures to disease modeling, functional integration, and commercialization, and proposes a decision framework that aligns model complexity with mechanistic
Jinzhuo Hu, Yongjie Tang, Sidi Liu, Tao Xu, Qian Liu   +4 more
wiley   +1 more source

MOFs for next-generation cancer therapeutics through a biophysical approach—a review

Frontiers in Bioengineering and Biotechnology
Metal-organic frameworks (MOFs) have emerged as promising nanocarriers for cancer treatment due to their unique properties. Featuring high porosity, extensive surface area, chemical stability, and good biocompatibility, MOFs are ideal for efficient drug ...
Leon Bernet Shano, Subramani Karthikeyan, Lourdusamy John Kennedy, Shanmugavel Chinnathambi, Ganesh N. Pandian   +4 more
doaj   +1 more source

Discovery of H2 Receptor Antagonists as Colistin Enhancers by Targeting Acid Stress Response

Advanced Science, EarlyView.
This study identifies YqgB as a key target for restoring colistin susceptibility in mcr‐positive pathogens under acidic conditions by remodeling phospholipid composition and reducing LPS modification. Deep learning‐based screening reveals H2 receptor antagonists as novel colistin adjuvants. Further investigations indicate that ranitidine and famotidine
Jinju Cai, Mengping He, Jianya Luo, Shuang Zhou, Tengyue Zhang, Jianing Li, Zhiqiang Wang, Yuan Liu   +7 more
wiley   +1 more source

Studying the Biological Activity of Trans-[Cu (quin)2(EtOH)2] as Potent Antimicrobial Cu(II) Complex through Computational Investigations: DFT, ADMET and Molecular Docking

Frontiers in Bioscience-Landmark, 2023
Background: Trans-[Cu (quin)2(EtOH)2], a new copper (II) complex, was characterized using a variety of computational techniques to explore its biological role in pharmacological applications. Methods: The computational methods included density functional
Rageh K. Hussein, Ahmed M. El-Khayatt, Omar K. Al Duaij, Ahmed M. Alkaoud   +3 more
doaj   +1 more source

Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge. [PDF]

, 2015
The Centre for Molecular Informatics, formerly Unilever Centre for Molecular Science Informatics (UCMSI), at the University of Cambridge is a world-leading driving force in the field of cheminformatics.

core   +2 more sources

The ITGB2‐COPS3‐SOX2 Axis and SOX2 Liquid‐Liquid Phase Separation: Dual Mechanisms Governing Osteosarcoma Stemness

Advanced Science, EarlyView.
Osteosarcoma stemness is driven by the ITGB2‐COPS3‐SOX2 signaling axis. This study reveals that nuclear COPS3 stabilizes SOX2, which in turn undergoes liquid‐liquid phase separation to promote stemness. Based on this mechanism, a novel COPS3 inhibitor, Z‐5891, was developed, effectively suppressing tumor growth and stemness in vivo, offering a ...
Lei Guo, Zhiqing Zhao, Wei Wang, Jianfang Niu, Bing Wang, Yunfei Lin, Wei Guo, Taiqiang Yan   +7 more
wiley   +1 more source

In Silico Studies of Two Biphenyl Based Oxime Containing Ligands

Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, 2021
Two biphenyl based ligands were tested for their molecular docking, ADME and toxicity properties in silico. Molecular docking studies performed with two factors (VEGFR-2 and EGFRK) which are known to be effective in tumor growth. Two ligands were similar
Bülent Dede, Güvenç Görgülü
doaj   +1 more source

The Living ROMP of trans-Cyclooctene [PDF]

, 2009
The living ring-opening metathesis polymerization (ROMP) of trans-cyclooctene (tCO) was investigated. ROMP of tCO in the presence of PPh_3 in THF leads to the formation of narrowly dispersed polycyclooctene (PCO).
Conrad, Rosemary M., Grubbs, Robert H., Walker, Ron   +2 more
core   +2 more sources