conformational analysis of novel anti hiv 1,2,3,4-tetrahydropyrimidones
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Double Variational Binding—(SMILES) Conformational Analysis by Docking Mechanisms for Anti-HIV Pyrimidine Ligands
Variational quantitative binding-conformational analysis for a series of anti-HIV pyrimidine-based ligands is advanced at the individual molecular level. This was achieved by employing ligand-receptor docking algorithms for each molecule in the 1,3-disubstituted uracil derivative series that was studied. Such computational algorithms were employed for analyzing both genuine molecular cases and ...
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Nitidine chloride (NC), a quaternary ammonium alkaloid, has numerous pharmacological effects, such as anticancer activity. However, it was found that NC also has hepatocellular toxicity. Because organic cation transporters 1 and 3 (OCT1 and OCT3) might mediate the influx of NC into hepatocytes, multidrug and toxin extrusion 1 (MATE1) probably mediates the efflux of NC from hepatocytes, while cy...
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One series of half-analogues of Michler’s ketone containing one or more terminal methoxysubstituents with variable tertiary amino groups have been used in this study. NMR spectralresults for the parent ketones confirm earlier findings that ortho proton shifts are apparentlyindependent from steric effects in derivatives of Michler’s ketone because the ring current andcarbonyl-induced shifts are ...
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Developing a new drug entity from drafting its structure to market launching is a complex process which can take many years and cost millions of dollars. It may also take many years to grow an idea of supporting evidence before selecting a pharmacological target for a costly drug discovery programme. This reflects a massive investment in terms of time, money, human and other potential resources...
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عنوان ژورنال:
research in pharmaceutical sciencesجلد ۷، شماره ۵، صفحات ۰-۰
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