Results 21 to 30 of about 25,555 (231)
Pharmacophore mapping studies on indolizine derivatives as 15-LOX inhibitors
Bulletin of Faculty of Pharmacy Cairo University, 2015 This investigation analyzes the common chemical features for 15-lipoxygenase (15-LOX) inhibitors to develop ligand-based pharmacophore models for lipoxygenase inhibitory activity.
Vikas Sharma, Vipin Kumar
doaj +1 more source
Computation, 2020 To date, SARS-CoV-2 infectious disease, named COVID-19 by the World Health Organization (WHO) in February 2020, has caused millions of infections and hundreds of thousands of deaths.
Giulia Culletta +5 more
doaj +1 more source
Molecules, 2021 The endocannabinoid system plays an essential role in the regulation of analgesia and human immunity, and Cannabinoid Receptor 2 (CB2) has been proved to be an ideal target for the treatment of liver diseases and some cancers.
Mukuo Wang +4 more
doaj +1 more source
A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
Molecules, 2023 The plant Carpobrotus edulis has traditionally been known for its wide applications in diseases, especially vitiligo, which is characterized by patches and white macules caused by the loss of melanocytes.
Emna Trigui +4 more
doaj +1 more source
Benzoquinoline Chemical Space: A Helpful Approach in Antibacterial and Anticancer Drug Design
Molecules, 2023 Benzoquinolines are used in many drug design projects as starting molecules subject to derivatization. This computational study aims to characterize e benzoquinone drug space to ease future drug design processes based on these molecules.
Claudiu N. Lungu +3 more
doaj +1 more source
The Integration of Pharmacophore-Based 3D-QSAR Modeling and Virtual Screening in Identification of Natural Product Inhibitors against SARS-CoV-2 [PDF]
Pharmaceutical Sciences, 2021 Background: The current outbreak of Coronavirus Disease 2019 (SARS-CoV-2) led to public health emergencies all over the world and made it a global concern. Also, the lack of an effective treatment to combat this virus is another concern that has appeared.
Samira Norouzi +2 more
doaj +1 more source
Frontiers in Pharmacology, 2018 Pharmacophore-based virtual screening is an important and leading compound discovery method. However, current pharmacophore generation algorithms suffer from difficulties, such as ligand-dependent computation and massive extractive chemical features.
Gaoqi He +7 more
doaj +1 more source
Pharmaceuticals, 2013 Farnesyltransferase enzyme (FTase) is considered an essential enzyme in the Ras signaling pathway associated with cancer. Thus, designing inhibitors for this enzyme might lead to the discovery of compounds with effective anticancer activity.
Nizar M. Mhaidat +5 more
doaj +1 more source
On the Integration of Pharmacophore Model and Molecular Docking Method
Journal of Algorithms & Computational Technology, 2011 Structure-based molecular docking has been recognized as the most effective virtual screening technology. Two aspects decide the accuracy of virtual screening result: one is the simulation degree to the interaction of ligands and acceptors, the other is ...
G. Dong, X.J. Deng, J.H. Xiao
doaj +1 more source
Photoenzymatic Hydroalkylation Enables Streamlined Access to Aryl Glutarimide Precursors
Angewandte Chemie, EarlyView.We report a photoenzymatic hydroalkylation that enables streamlined, stereocontrolled access to aryl glutarimide precursors relevant to targeted protein degradation. Engineered flavin‐dependent “ene”‐reductases provide broad scope and high enantioselectivity through a distinct electron transfer–enantioselective proton transfer pathway.
Zhi Xu +9 more
wiley +2 more sources