Structure-based virtual screening: from classical to artificial intelligence
The drug development process is a major challenge in the pharmaceutical industry since it
takes a substantial amount of time and money to move through all the phases of developing …
takes a substantial amount of time and money to move through all the phases of developing …
Non-nucleoside reverse transcriptase inhibitors (NNRTIs), their discovery, development, and use in the treatment of HIV-1 infection: a review of the last 20 years (1989 …
MP de Béthune - Antiviral research, 2010 - Elsevier
It is almost 20 years since NNRTIs were identified as a new class of antiretroviral drugs for
the treatment of HIV-1 infection. Although they belong to different and diverse chemical …
the treatment of HIV-1 infection. Although they belong to different and diverse chemical …
SARS-CoV-2 exacerbates proinflammatory responses in myeloid cells through C-type lectin receptors and Tweety family member 2
Q Lu, J Liu, S Zhao, MFG Castro, M Laurent-Rolle… - Immunity, 2021 - cell.com
Despite mounting evidence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) engagement with immune cells, most express little, if any, of the canonical receptor of …
2) engagement with immune cells, most express little, if any, of the canonical receptor of …
Viral dynamics in human immunodeficiency virus type 1 infection
X Wei, SK Ghosh, ME Taylor, VA Johnson, EA Emini… - Nature, 1995 - nature.com
The dynamics of HIV-1 replication in vivo are largely unknown yet they are critical to our
understanding of disease pathogenesis. Experimental drugs that are potent inhibitors of viral …
understanding of disease pathogenesis. Experimental drugs that are potent inhibitors of viral …
Crystal structure at 3.5 Å resolution of HIV-1 reverse transcriptase complexed with an inhibitor
LA Kohlstaedt, J Wang, JM Friedman, PA Rice… - Science, 1992 - science.org
A 3.5 angstrom resolution electron density map of the HIV-1 reverse transcriptase
heterodimer complexed with nevirapine, a drug with potential for treatment of AIDS, reveals …
heterodimer complexed with nevirapine, a drug with potential for treatment of AIDS, reveals …
Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and …
In this work, a new ansatz is presented that combines molecular dynamics simulations with
MM-PBSA (Molecular Mechanics Poisson− Boltzmann/surface area) to rank the binding …
MM-PBSA (Molecular Mechanics Poisson− Boltzmann/surface area) to rank the binding …
The journey of HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) from lab to clinic
V Namasivayam, M Vanangamudi… - Journal of medicinal …, 2018 - ACS Publications
Human immunodeficiency virus (HIV) infection is now pandemic. Targeting HIV-1 reverse
transcriptase (HIV-1 RT) has been considered as one of the most successful targets for the …
transcriptase (HIV-1 RT) has been considered as one of the most successful targets for the …
Crystal structure of human immunodeficiency virus type 1 reverse transcriptase complexed with double-stranded DNA at 3.0 A resolution shows bent DNA.
A Jacobo-Molina, J Ding, RG Nanni… - Proceedings of the …, 1993 - National Acad Sciences
The crystal structure of a ternary complex of human immunodeficiency virus type 1 reverse
transcriptase (HIV-1 RT) heterodimer (p66/p51), a 19-base/18-base double-stranded DNA …
transcriptase (HIV-1 RT) heterodimer (p66/p51), a 19-base/18-base double-stranded DNA …
Fe3O4/SiO2 nanoparticles: an efficient and magnetically recoverable nanocatalyst for the one-pot multicomponent synthesis of diazepines
A Maleki - Tetrahedron, 2012 - Elsevier
In this research, a new protocol for the one-pot multicomponent synthesis of diazepine
derivatives using a 1, 2-diamine, a linear or cyclic ketone, and an isocyanide in the presence …
derivatives using a 1, 2-diamine, a linear or cyclic ketone, and an isocyanide in the presence …
Twenty-six years of anti-HIV drug discovery: where do we stand and where do we go?
Y Mehellou, E De Clercq - Journal of medicinal chemistry, 2010 - ACS Publications
The human immunodeficiency virus (HIVa) has now been established as the causative
agent of the acquired immunodeficiency syndrome (AIDS) for over 20 years. 1, 2 During this …
agent of the acquired immunodeficiency syndrome (AIDS) for over 20 years. 1, 2 During this …