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- 1. HIVプロテアーゼ阻害剤 hiv protease inhibitors
- 2. 成人に対する抗レトロウイルス剤の液体製剤 liquid preparations of antiretroviral agents for adults
- 3. HIV-2感染の治療 treatment of hiv 2 infection
- 4. 腎機能不全または肝機能不全を有する成人における抗レトロウイルス剤の用量調整 dose modification of antiretroviral agents in adults with renal or hepatic dysfunction
- 5. HIV抗レトロウイルス療法の変更 modifying hiv antiretroviral therapy regimens
- Elucidating the Energetics of Entropically Driven Protein-Ligand Interactions: Calculations of Absolute Binding Free Energy and Entropy.
- Deng N, Zhang P, Cieplak P, Lai L.AbstractThe binding of proteins and ligands is generally associated with the loss of translational, rotational and conformational entropy. In many cases, however, the net entropy change due to binding is positive. To develop a deeper understanding of the energetics of entropically driven protein-ligand binding, we calculated the absolute binding free energies and binding entropies for two HIV-1 protease inhibitors Nelfinavir and Amprenavir using the double-decoupling method with molecular dynamics simulations in explicit solvent. For both ligands, the calculated absolute binding free energies are in general agreement with experiments. The statistical error in the computed ΔG(bind) due to convergence problem is estimated to be ? 2 kcal/mol. The decomposition of free energies indicates that while the binding of Nelfinavir is driven by non-polar interaction, Amprenavir binding benefits from both non-polar and electrostatic interactions. The calculated absolute binding entropies show that (1) Nelfinavir binding is driven by large entropy change and (2) the entropy of Amprenavir binding is much less favorable compared with that of Nelfinavir. Both results are consistent with experiments. To obtain qualitative insights into the entropic effects, we decomposed the absolute binding entropy into different contributions based on the temperature dependence of free energies along different legs of the thermodynamic pathway. The results suggest that the favorable entropic contribution to binding is dominated by the ligand desolvation entropy. The entropy gain due to solvent release from binding site appears to be more than offset by the reduction of rotational and vibrational entropies upon binding.
- The journal of physical chemistry. B.J Phys Chem B.2011 Sep 7. [Epub ahead of print]
- The binding of proteins and ligands is generally associated with the loss of translational, rotational and conformational entropy. In many cases, however, the net entropy change due to binding is positive. To develop a deeper understanding of the energetics of entropically driven protein-ligand bind
- PMID 21899337
- In vitro activity against Plasmodium falciparum of antiretroviral drugs.
- Nsanzabana C, Rosenthal PJ.SourceDepartment of Medicine, San Francisco General Hospital, University of California San Francisco, San Francisco, California.
- Antimicrobial agents and chemotherapy.Antimicrob Agents Chemother.2011 Aug 29. [Epub ahead of print]
- Malaria and HIV infection are both very common in many developing countries. With increasing availability of therapy for HIV infection, it was of interest to determine if antiretroviral drugs exert antimalarial effects. We therefore tested the in vitro activity of 19 antiretroviral drugs against the
- PMID 21876053
- Synthesis and Biological Evaluation of Novel Isopropanolamine Derivatives as Non-peptide Human Immunodeficiency Virus Protease Inhibitors
- ZHOU Lijun,YANG Qingang,WANG Yong,HU Youhong,LUO Xiaomin,BAI Donglu,LI Shukun
- Chemical & pharmaceutical bulletin 56(8), 1147-1152, 2008-08-01
- … Novel potential human immunodeficiency virus (HIV) protease inhibitors were designed by a combination of nelfinavir and amprenavir motifs. … value of 0.02μM, comparable to that of amprenavir. …
- NAID 110006838323
- Simultaneous determination of 8 HIV protease inhibitors in human plasma by isocratic high-performance liquid chromatography with combined use of UV and fluorescence detection : Amprenavir, indinavir, atazanavir, ritonavir, lopinavir, saquinavir, nelfinavir and M8-nelfinavir metabolite
- VERBESSELT R.,VAN WIJNGAERDEN E.,DE HOON J.
- Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 845(1), 51-60, 2007-01-01
- NAID 10019944030
- Amprenavir (Agenerase, GlaxoSmithKline) is a protease inhibitor used to treat HIV infection. It was approved by the Food and Drug Administration on April 15, 1999, for twice-a-day dosing instead of needing to be taken every eight hours. ...
|拡張検索||「fosamprenavir」「fosamprenavir calcium hydrate」「fosamprenavir sodium」「fosamprenavir calcium」|
- Lexiva, fos-APV