Results 71 to 80 of about 989 (99)

Computational design of small molecular modulators of protein–protein interactions with a novel thermodynamic cycle: Allosteric inhibitors of HIV‐1 integrase [PDF]

, 2020
Qinfang Sun, Vijayan S. K. Ramaswamy, Ronald M. Levy, Nanjie Deng   +3 more
openalex   +1 more source

An Allosteric Mechanism for Inhibiting HIV-1 Integrase with a Small Molecule [PDF]

, 2009
Jacques J. Kessl, Jocelyn O. Eidahl, Nikolozi Shkriabai, Zhuojun Zhao, Christopher J. McKee, Sonja Hess, Terrence R. Burke, Mamuka Kvaratskhelia   +7 more
openalex   +1 more source

The mechanism of H171T resistance reveals the importance of Nδ-protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase [PDF]

, 2014
Alison Slaughter, Kellie A. Jurado, Nanjie Deng, Lei Feng, Jacques J. Kessl, Nikoloz Shkriabai, Ross C. Larue, Hind J. Fadel, Pratiq A. Patel, Nivedita Jena, James R. Fuchs, Eric M. Poeschla, Ronald M. Levy, Alan Engelman, Mamuka Kvaratskhelia   +14 more
openalex   +1 more source

Exploring the Free Energy Landscape and Thermodynamics of Protein-Protein Association: HIV-1 Integrase Multimerization Induced by an Allosteric Inhibitor

, 2020
Carmen Tse, Lauren Wickstrom, Mamuka Kvaratskhelia, Emilio Gallicchio, Ronald M. Levy, Nan Deng   +5 more
openalex   +1 more source

Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor

ACS Medicinal Chemistry Letters, 2022
Allosteric HIV-1 integrase inhibitors (ALLINIs) have been of interest recently because of their novel mechanism of action. Strategic modifications to the C5 moiety of a class of 4-(4,4-dimethylpiperidinyl)-2,6-dimethylpyridinyl ALLINIs led to the identification of a tetrahydroisoquinoline heterocycle as a suitable spacer element to project the distal ...
Kyle Parcella, Tao Wang, Kyle Eastman, Zhongxing Zhang, Zhiwei Yin, Manoj Patel, Yong Tu, Barbara Zhizhen Zheng, Michael A. Walker, Mark G. Saulnier, David Frennesson, Michael Bowsher, Eric Gillis, Kevin Peese, Makonen Belema, Christopher Cianci, Ira B. Dicker, Brian McAuliffe, Bo Ding, Paul Falk, Jean Simmermacher, Dawn D. Parker, Prasanna Sivaprakasam, Kevin Kish, Hal Lewis, Umesh Hanumegowda, Susan Jenkins, John F. Kadow, Mark Krystal, Nicholas A. Meanwell, B. Narasimhulu Naidu   +30 more
openaire   +4 more sources

Rational design of LEDGINs as first allosteric integrase inhibitors for the treatment of HIV infection

Drug Discovery Today: Technologies, 2013
The interaction between lens epithelium-derived growth factor (LEDGF/p75) and HIV-1 integrase (IN) is an attractive target for antiviral development because its inhibition blocks HIV replication. Developing novel small molecules that disrupt the LEDGF/p75-IN interaction constitutes a promising new therapeutic strategy for the treatment of HIV.
Jonas Demeulemeester, Frauke Christ, Belete Ayele Desimmie, Zeger Debyser   +3 more
openaire   +4 more sources

Kuwanon‐L as a New Allosteric HIV‐1 Integrase Inhibitor: Molecular Modeling and Biological Evaluation

ChemBioChem, 2015
AbstractHIV‐1 integrase (IN) active site inhibitors are the latest class of drugs approved for HIV treatment. The selection of IN strand‐transfer drug‐resistant HIV strains in patients supports the development of new agents that are active as allosteric IN inhibitors.
Bruno Botta, Filippo Canducci, Filippo Canducci, Elisa Rita Ceresola, Maurizio Botta, Enzo Tramontano, Frauke Christ, Roberto Ferrarese, Riccardo Martini, Angela Corona, Francesca Esposito, Massimo Clementi, Gianluigi Cabiddu, Valentina Iovine, Zeger Debyser, Andrea Calcaterra, Cristina Tintori   +16 more
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Discovery of arylsulfonamides as a novel class of allosteric integrase inhibitors with antiviral activity

Bioorganic & Medicinal Chemistry Letters, 2023
Lens epithelial-derived growth factor (LEDGF) increases the efficiency of proviral DNA integration into the host genome by interacting with HIV integrase (IN) and directing it to a chromatin environment that favors viral transcription. Allosteric integrase inhibitors (ALLINIs), such as known 2-(tert-butoxy)acetic acid (1), bind to the LEDGF pocket on ...
Cheng Wang, Gregory C. Adam, Christine Burlein, Steven Carroll, William Dankulich, Tracy Diamond, Jay Grobler, Jeffrey Heath, Adam Johnson, Daniel Klein, Daniel Krosky, Kartik Narayan, Yangsi Ou, John Sanders, Sujata Sharma, Min Xu, Antonella Converso   +16 more
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Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold

Bioorganic & Medicinal Chemistry, 2020
We report herein the discovery of novel integrase-LEDGF/p75 allosteric inhibitors (INLAIs) based on a benzene scaffold 3. This scaffold can extend substituents from the C1 position unlike the common pyridine scaffolds 2. Structure-activity relationship studies showed that the sulfonamide linker at the C1 position was important for the antiviral ...
Tamura Yoshinori, Takashi Kawasuji, Kenji Tomita, Takahiro Seki, Shuichi Sugiyama, Eriko Matsuoka, Shuhei Arita, Tomokazu Yoshinaga, Tsutomu Iwaki   +8 more
openaire   +3 more sources

Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors

Journal of Medicinal Chemistry, 2020
The standard of care for HIV-1 infection, highly active antiretroviral therapy (HAART), combines two or more drugs from at least two classes. Even with the success of HAART, new drugs with novel mechanisms are needed to combat viral resistance, improve adherence, and mitigate toxicities.
Guo Li, Nicholas A. Meanwell, Mark R. Krystal, David R. Langley, B. Narasimhulu Naidu, Prasanna Sivaprakasam, Hal Lewis, Kevin Kish, Javed A. Khan, Alicia Ng, George L. Trainor, Christopher Cianci, Ira B. Dicker, Michael A. Walker, Zeyu Lin, Tricia Protack, Linda Discotto, Susan Jenkins, Samuel W. Gerritz, Annapurna Pendri   +19 more
openaire   +2 more sources