Results 91 to 100 of about 37,292 (264)

A pharmacophore‐based classification better predicts the outcomes of HER2‐negative breast cancer patients receiving the anthracycline‐ and/or taxane‐based neoadjuvant chemotherapy

Cancer Medicine, 2021
Aims Prognosis of patients for human epidermal growth factor receptor 2 (HER2)‐negative breast cancer post neoadjuvant chemotherapy is not well understood.
Xuan Li, Hefen Sun, Qiqi Liu, Yang Liu, Yifeng Hou, Wei Jin   +5 more
doaj   +1 more source

3D Pharmacophore Modeling Techniques in Computer-Aided Molecular Design Using LigandScout

, 2017
This chapter reviews theory related to pharmacophore models and guide the user through six essential workflows using LigandScout: structure‐based pharmacophore modeling, ligand‐based pharmacophore modeling, creating shared‐feature pharmacophore models ...
Poli, Giulio, Thierry Langer, Bryant, Sharon D., Gökhan Ibis, Thomas Seidel, Seidel, Thomas, Sharon D. Bryant, Ibis, Gökhan, Giulio Poli, Langer, Thierry   +9 more
core   +1 more source

Use of Clotrimazole in Finfish Aquaculture: Mechanistic Insights, Limitations, and Future Directions for Antifungal Therapy

Animal Research and One Health, EarlyView.
This review critically evaluates clotrimazole as a potential antifungal for finfish aquaculture, highlighting strong mechanistic and in vitro efficacy against aquatic mycoses alongside major gaps in in vivo evidence, toxicokinetics, residue safety, and environmental risk, outlining priorities for responsible therapeutic development and regulatory ...
Arya Sen, Debashri Mondal, Thangapalam Jawahar Abraham   +2 more
wiley   +1 more source

DeCAF—Discrimination, Comparison, Alignment Tool for 2D PHarmacophores

Molecules, 2017
Comparison of small molecules is a common component of many cheminformatics workflows, including the design of new compounds and libraries as well as side-effect predictions and drug repurposing.
Marta M. Stepniewska-Dziubinska, Piotr Zielenkiewicz, Pawel Siedlecki   +2 more
doaj   +1 more source

Comprehensive Characterization of Acer truncatum Leaf Extract: Identification of Systemic Metabolites and Effects on Performance, Antioxidant Status, and Intestinal Microbiota in Laying Hens

Animal Research and One Health, EarlyView.
Dietary A. truncatum leaf extract is absorbed and improves laying performance in aged hens by enhancing systemic antioxidant capacity and modulating the gut microbiota. ABSTRACT The demand for natural feed additives is considerably increasing in the antibiotic‐free feed era.
Kailong Qin, Jiantao Yang, Minglu Gao, Xiaozhao Tao, Xin Yang, Yanli Liu, Xiaojun Yang   +6 more
wiley   +1 more source

Drug‐coated balloons: From conventional designs to next‐generation innovations in vascular therapy

BMEMat, EarlyView.
This review traces the evolution of drug‐coated balloons (DCBs) from conventional designs to next‐generation platforms. We highlight innovations in balloon engineering, coating technologies, and therapeutic agents that enhance localized drug delivery while addressing challenges in efficiency, safety, and biocompatibility for vascular and emerging non ...
Lu Zhang, Jiawei Cui, Jin Wang, Manfred F. Maitz, Rifang Luo, Yunbing Wang   +5 more
wiley   +1 more source

Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints [PDF]

Chemistry Central Journal, 2008
Topological (2D) Fuzzy Pharmacophore Triplets (2D-FPT), using the number of interposed bonds to measure separation between the atoms representing pharmacophore types, were employed to establish and validate Quantitative Structure-Activity Relationships (QSAR).
openaire   +2 more sources

Phosphorescent Iridium Hydrazinonicotinic Acid (HYNIC) Complexes That Bind to Prostate Specific Membrane Antigen: Potential Photodynamic Therapy of Prostate Cancer

Chemistry – A European Journal, EarlyView.
A phosphorescent iridium(III) complex has been prepared with a 6‐hydrazinonicotinic acid (HYNIC) ligand tethered to a lysine‐ureido‐glutamatic acid pharmacophore, which binds to an enzyme, called prostate‐specific membrane antigen (PSMA), which is overexpressed in prostate cancer.
La'El Kimchi, Emily R. McGowan, Katherine A. Morgan, Jonathan M. White, Trevor A. Smith, Stacey E. Rudd, Paul S. Donnelly   +6 more
wiley   +1 more source

From Bench to Bioactivity: An Integrated Medicinal Development Based on Kinetic and Simulation Assessment of Pyrazolone-Oxadiazole Coupled Benzamide as Promising Inhibitors of Diabetes Mellitus

Pharmaceuticals
Background: In this research work, novel pyrazolone-derived oxadiazole-based benzamide derivatives (1–10) were synthesized through unique and facile synthetic routes.
Manal M. Khowdiary, Shifa Felemban
doaj   +1 more source

Organelle‐Resolved Tetrazine‐trans‐Cyclooctene Click Chemistry for Cargo Delivery and Release

Chemistry – A European Journal, EarlyView.
Bioorthogonal click chemistry tools provide a means for specific intracellular conjugation of molecules. In this study, we used reactive tetrazine (Tz) and TCO moieties for labeling of organelles and organelle‐specific delivery and activation of doxorubicin prodrugs.
Oleh Durydivka, Marek Chovanec, Rastislav Dzijak, Michal Rahm, Jachym Hrusak, Paul E. Reyes‐Gutierrez, Milan Vrabel   +6 more
wiley   +1 more source