Results 71 to 80 of about 25,555 (231)

ProTides for Antiviral Activity Beyond Liver Cells

Chemistry – A European Journal, EarlyView.
A strategy for obtaining prodrugs of antiviral nucleotides with broad tissue activity is presented that relies on cycloalkyl or cycloalkylalkyl esters, improving uptake and esterase cleavage, and producing nanomolar inhibitors in kidney, colon, and lung cells.
Felix Goebel, Adrian Humboldt, Heeyoung Kim, Carl J. M. Schölzel, Ralf Bartenschlager, Clemens Richert   +5 more
wiley   +1 more source

In Silico Comparison of Bioactive Compounds Characterized from Azadirachta indica with an FDA-Approved Drug against Schistosomal Agents: New Insight into Schistosomiasis Treatment

Molecules
The burden of human schistosomiasis, a known but neglected tropical disease in Sub-Saharan Africa, has been worrisome in recent years. It is becoming increasingly difficult to tackle schistosomiasis with praziquantel, a drug known to be effective against
Babatunji Emmanuel Oyinloye, David Ezekiel Shamaki, Emmanuel Ayodeji Agbebi, Sunday Amos Onikanni, Chukwudi Sunday Ubah, Raphael Taiwo Aruleba, Tran Nhat Phong Dao, Olutunmise Victoria Owolabi, Olajumoke Tolulope Idowu, Makhosazana Siduduzile Mathenjwa-Goqo, Deborah Tolulope Esan, Basiru Olaitan Ajiboye, Olaposi Idowu Omotuyi   +12 more
doaj   +1 more source

Synthesis and Biological Profile of Substituted Pyrrolidinyl Carboxamides for Acyl‐ACP Thioesterase Inhibition

European Journal of Organic Chemistry, EarlyView.
The work outlined herein covers a series of novel herbicidal lead structures that possess a pyrrolidinyl pyrazole carboxamide scaffold as a key structural feature, carrying further substituted benzyl side chains. Based on scaffold hopping approaches from known fungicidal and herbicidal compounds and utilizing an optimized synthetic approach, a broader ...
Elisabeth Asmus, Martin Annau, Neanne Alnafta, David M. Barber, Guido Bojack, Birgit Bollenbach‐Wahl, Ralf Braun, Ronald W. Brown, Luke R. Churchman, Christine Dörnbrack, Andrew Earl, Tyler Fahrenhorst‐Jones, Jörg Freigang, Claudia Hartfiel, Ines Heinemann, Arnim Köhn, Bernd Laber, Michael C. McLeod, Catherine S. Meister, Gudrun Lange, Luka Posa, Shaun Rees, Dirk Schmutzler, Anna M. Reingruber, Jens Frackenpohl   +24 more
wiley   +1 more source

Computer‐Aided Functional Oligosaccharide Screening and the Regulatory Role in Lipid Metabolism

Food Bioengineering, EarlyView.
ABSTRACT This study investigated the lipid‐lowering effects and intervention mechanisms of structurally diverse functional oligosaccharides on non‐alcoholic fatty liver disease (NAFLD). By integrating computational tools such as molecular docking and molecular dynamics simulations (MDS), a comprehensive “in silico‐in vitro‐in vivo” tri‐dimensional ...
Rui Jing, Shanshan Deng, Mengyao Zhao, Liming Zhao   +3 more
wiley   +1 more source

Special Issue: Chemoinformatics

Molecules, 2016
Chemoinformatics techniques were originally developed for the construction and searching of large archives of chemical structures but they were soon applied to problems in drug discovery and are now playing an increasingly important role in many ...
Peter Willett
doaj   +1 more source

pharmacophore

Citation: 'pharmacophore' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11485 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Pyridoxal Reprograms Peroxisomal Hydrogen Peroxide Metabolism to Induce Lethal Oxidative Stress in Ovarian Cancer

iMetaMed, EarlyView.
Pyridoxal (PL) exhibits the strongest anti‐tumor activity within the vitamin B6 family, demonstrating significant ovarian cancer cell‐killing efficacy in vivo, in vitro, and in patient‐derived organoid (PDO) models. The anti‐tumor mechanism involves PL inducing a shift in peroxisome dynamics towards fission, promoting peroxisome proliferation, and ...
Ruonan Li, Huiyan Wang, Dunke Zhang, Qiuying Gu, Jinlong Wang, Bin Liu, Huabin Gao, Jingya Duan, Yimin Liu, Xiaolan Huang, Youquan Bu, Tongchuan He, Hua Linghu   +12 more
wiley   +1 more source

Synthesis and Sar Study of Diarylpentanoid Analogues as New Anti-Inflammatory Agents

Molecules, 2014
A series of ninety-seven diarylpentanoid derivatives were synthesized and evaluated for their anti-inflammatory activity through NO suppression assay using interferone gamma (IFN-γ)/lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages.
Sze Wei Leong, Siti Munirah Mohd Faudzi, Faridah Abas, Mohd Fadhlizil Fasihi Mohd Aluwi, Kamal Rullah, Lam Kok Wai, Mohd Nazri Abdul Bahari, Syahida Ahmad, Chau Ling Tham, Khozirah Shaari, Nordin H. Lajis   +10 more
doaj   +1 more source

Molecular theranostics: principles, challenges and controversies

Journal of Medical Radiation Sciences, Volume 72, Issue 1, Page 156-164, March 2025.
Molecular theranostics offers a powerful tool to drive precision medicine in nuclear oncology. While theranostics is not a new principle in nuclear medicine, recent advances in instrumentation and radiopharmacy have driven a reinvigoration and a broader suite of applications.
Geoffrey Currie
wiley   +1 more source

Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms

ChemistryOpen, EarlyView.
This study employed density functional theory (DFT) and conceptual DFT (CDFT) to calculate the structures and properties of potential antibacterial compounds derived from 16‐membered lactone ring‐containing secondary metabolites of extremophiles, as well as midecamycin.
Dilong Li, Yanni Wang, Yinhuan Huang, Hui Zhou, Xiaoyun Xia, Wei Huang, Chaojie Wang   +6 more
wiley   +1 more source