Targeting metalloenzymes for therapeutic intervention
AY Chen, RN Adamek, BL Dick, CV Credille… - Chemical …, 2018 - ACS Publications
Metalloenzymes are central to a wide range of essential biological activities, including
nucleic acid modification, protein degradation, and many others. The role of metalloenzymes …
nucleic acid modification, protein degradation, and many others. The role of metalloenzymes …
Viral enzymes containing magnesium: Metal binding as a successful strategy in drug design
D Rogolino, M Carcelli, M Sechi, N Neamati - Coordination Chemistry …, 2012 - Elsevier
Metal-activated enzymes are important targets in drug discovery in general and for antivirals
in particular. Such proteins contain one or more metal ion cofactors, prevalently located in …
in particular. Such proteins contain one or more metal ion cofactors, prevalently located in …
Advances in the synthesis of heterocycles bearing an endocyclic urea moiety
AV Smolobochkin, AS Gazizov… - Russian Chemical …, 2021 - iopscience.iop.org
The review systematizes and summarizes data on the synthesis of structurally diverse cyclic
ureas published over the last 10 years. Saturated and unsaturated monocyclic ureas, as well …
ureas published over the last 10 years. Saturated and unsaturated monocyclic ureas, as well …
Targeting HIV-1 integrase with strand transfer inhibitors
Y Li, S Xuan, Y Feng, A Yan - Drug Discovery Today, 2015 - Elsevier
Highlights•Overview of structural and functional properties of HIV-1 integrase
(IN).•Classifying the HIV-1 integrase strand transfer inhibitors (INSTIs) into ten …
(IN).•Classifying the HIV-1 integrase strand transfer inhibitors (INSTIs) into ten …
Sketching the historical development of pyrimidones as the inhibitors of the HIV integrase
RV Patel, YS Keum, SW Park - European Journal of Medicinal Chemistry, 2015 - Elsevier
Heterocyclic substances perform a very unique role in drug design and discovery. This
article provides the primary objectives of the analysis within pyrimidine centered new …
article provides the primary objectives of the analysis within pyrimidine centered new …
Homology model-guided 3D-QSAR studies of HIV-1 integrase inhibitors
In the present study, we report the exploration of binding modes of potent HIV-1 integrase
(IN) inhibitors MK-0518 (raltegravir) and GS-9137 (elvitegravir) as well as chalcone and …
(IN) inhibitors MK-0518 (raltegravir) and GS-9137 (elvitegravir) as well as chalcone and …
Prediction of bioactivity of HIV-1 integrase ST inhibitors by multilinear regression analysis and support vector machine
S Xuan, Y Wu, X Chen, J Liu, A Yan - Bioorganic & medicinal chemistry …, 2013 - Elsevier
In this study, four computational quantitative structure–activity relationship models were built
to predict the biological activity of HIV-1 integrase strand transfer (ST) inhibitors. 551 …
to predict the biological activity of HIV-1 integrase strand transfer (ST) inhibitors. 551 …
A QSAR study of integrase strand transfer inhibitors based on a large set of pyrimidine, pyrimidone, and pyridopyrazine carboxamide derivatives
LJ de Campos, EB de Melo - Journal of Molecular Structure, 2017 - Elsevier
In the present study, 199 compounds derived from pyrimidine, pyrimidone and
pyridopyrazine carboxamides with inhibitory activity against HIV-1 integrase were modeled …
pyridopyrazine carboxamides with inhibitory activity against HIV-1 integrase were modeled …
Design and synthesis of novel pyrimidone analogues as HIV-1 integrase inhibitors
S Yu, TW Sanchez, Y Liu, Y Yin, N Neamati… - Bioorganic & medicinal …, 2013 - Elsevier
A series of novel pyrimidone analogues have been designed and synthesized as HIV-1
integrase (IN) inhibitors. This study demonstrated that introducing a substituent in the N1 …
integrase (IN) inhibitors. This study demonstrated that introducing a substituent in the N1 …
Classification of active and weakly active ST inhibitors of HIV-1 integrase using a Support Vector Machine
A Yan, S Xuan, X Hu - Combinatorial chemistry & high …, 2012 - ingentaconnect.com
Using a support vector machine (SVM), two computational models were built to predict
whether a compound is an active or weakly active strand transfer (ST) inhibitor based on a …
whether a compound is an active or weakly active strand transfer (ST) inhibitor based on a …