Results 21 to 30 of about 218 (163)

Picomolar inhibitor of reverse transcriptase featuring significantly improved metabolic stability

Acta Pharmaceutica Sinica B, 2023
Considering the undesirable metabolic stability of our recently identified NNRTI 5 (t1/2 = 96 min) in human liver microsomes, we directed our efforts to improve its metabolic stability by introducing a new favorable hydroxymethyl side chain to the C-5 ...
Ya-Li Sang, Christophe Pannecouque, Erik De Clercq, Shuai Wang, Fen-Er Chen   +4 more
doaj  

Current state-of-the-art in preclinical and clinical development of novel non-nucleoside HIV-1 reverse transcriptase inhibitors [PDF]

, 2006
In spite of the tremendous advance in our understanding of the HIV-1 life cycle and of the molecular mechanisms underlying its pathogenesis, it is still not possible to fully control the HIV-1 infection for long periods of time, not to mention eradicate ...
Giovanni Maga, SILVESTRI, Romano
core   +1 more source

Design, Synthesis, and Evaluation of Diarylpyridines and Diarylanilines as Potent Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors [PDF]

, 2010
Based on the structures and activities of our previously identified non-nucleoside reverse transcriptase inhibitors (NNRTIs), we designed and synthesized two sets of derivatives, diarylpyridines (A) and diarylanilines (B), and tested their anti-HIV-1 ...
Chen, Chin Ho, Jiang, Shibo, Lee, Kuo-Hsiung, Lu, Hong, Morris-Natschke, Susan L., Qin, Bingjie, Tian, Xingtao, Wang, Xiaofeng, Wu, Zhiyuan, Xie, Lan   +9 more
core   +2 more sources

Introducing Catastrophe-QSAR. Application on Modeling Molecular Mechanisms of Pyridinone Derivative-Type HIV Non-Nucleoside Reverse Transcriptase Inhibitors [PDF]

, 2011
The classical method of quantitative structure-activity relationships (QSAR) is enriched using non-linear models, as Thom’s polynomials allow either uni- or bi-variate structural parameters. In this context, catastrophe QSAR algorithms are applied to the
Afantitis, Ana-Maria Putz, Arnold, Bak, Benigni, Cerf, Chattaraj, Chen, Corina Duda-Seiman, Croce, Cronin, De Clercq, De Clercq, Dingli, Duchowicz, Duda-Seiman, Duda-Seiman, El Safadi, Gupta, Hansch, Himmel, Hypercube, Ivetac, Krokidis, Lacorre, Leo, Lu, Mandal, Marino, Marius Lazea, Masterton, Medina-Franco, Mihai V. Putz, Morse, Pavan, Pavan, Poston, Prabhakar, Prajapati, Putz, Putz, Putz, Putz, Putz, Putz, Putz, Putz, Rebehmed, Sanns, Selassie, Seyfel, Silvi, Thom, Todeschini, Topliss, Viret, Viret, Zeeman, Zhan, Zhao   +59 more
core   +3 more sources

IN SILICO METHODS FOR DRUG DESIGN AND DISCOVERY [PDF]

, 2020
Computer-aided drug design (CADD) methodologies are playing an ever-increasing role in drug discovery that are critical in the cost-effective identification of promising drug candidates.
José L. Medina-Franco, Kamil Kuca, Marian Valko, Simone Brogi, Teodorico Castro Ramalho   +4 more
core   +1 more source

Design, Synthesis, and Preclinical Evaluations of Novel 4-Substituted 1,5-Diarylanilines as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor (NNRTI) Drug Candidates [PDF]

, 2012
Twenty-one new 4-substituted diarylaniline compounds (DAANs) (Scheme 2, series 13, 14, and 15) were designed, synthesized, and evaluated against wild-type and drug resistant HIV-1 viral strains.
Chen, Chin Ho, Huang, Li, Lee, Kuo-Hsiung, Qian, Keduo, Qin, Bingjie, Sun, Lian-Qi, Xie, Lan, Zhu, Lei   +7 more
core   +2 more sources

The Need for Development of New HIV‐1 Reverse Transcriptase and Integrase Inhibitors in the Aftermath of Antiviral Drug Resistance

Scientifica, Volume 2012, Issue 1, 2012., 2012
The use of highly active antiretroviral therapy (HAART) involves combinations of drugs to achieve maximal virological response and reduce the potential for the emergence of antiviral resistance. There are two broad classes of reverse transcriptase inhibitors, the nucleoside reverse transcriptase inhibitors (NRTIs) and nonnucleoside reverse ...
Mark A. Wainberg, Massimo Clementi, Christophe Marchand, Hans J. Netter, Blake Peterson   +4 more
wiley   +1 more source

Novel Deep Learning Approach to Derive Cytokeratin Expression and Epithelium Segmentation from DAPI [PDF]

arXiv, 2022
Generative Adversarial Networks (GANs) are state of the art for image synthesis. Here, we present dapi2ck, a novel GAN-based approach to synthesize cytokeratin (CK) staining from immunofluorescent (IF) DAPI staining of nuclei in non-small cell lung cancer (NSCLC) images.
arxiv  

Optimization of the Antiviral Potency and Lipophilicity of Halogenated 2,6-Diarylpyridinamines as a Novel Class of HIV-1 NNRTIS [PDF]

, 2014
Nineteen new halogenated diarylpyridinamine (DAPA) analogues (6a-n and 8a-e) modified on the phenoxy C-ring were synthesized and evaluated for anti-HIV activity and certain drug-like properties. Ten compounds showed high anti-HIV activity (EC50 0.3, LLE
Chen, Chin Ho, Huang, Li, Jiang, Shibo, Lee, Kuo Hsiung, Liu, Na, Morris-Natschke, Susan L., Qian, Keduo, Qin, Bingjie, Wu, Zhi Yuan, Xie, Lan, Yu, Fei   +10 more
core   +2 more sources

Diarylaniline Derivatives as a Distinct Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors [PDF]

, 2010
By using structure-based drug design and isosteric replacement, diarylaniline and 1,5-diarylbenzene-1,2-diamine derivatives were synthesized and evaluated against wild type HIV-1 and drug-resistant viral strains, resulting in the discovery of ...
Barbault, Florent, Chen, Chin-Ho, Huang, Li, Huang, Rong, Jiang, Shibo, Jiang, Xingkai, Lee, Kuo-Hsiung, Lu, Hong, Qian, Keduo, Qin, Bingjie, Tian, Xingtao, Xie, Lan   +11 more
core   +2 more sources