1 Bioisosterism in Medicinal Chemistry
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منابع مشابه
Structure-based bioisosterism design, synthesis and biological evaluation of novel 1,2,4-triazin-6-ylthioacetamides as potent HIV-1 NNRTIs.
The development of new HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) offers the possibility of generating novel chemical entities of increased potency. Previous investigations in our laboratory resulted in the discovery of several novel series of arylazolylthioacetanilides as potent NNRTIs. In this study, based on the structure-based bioisosterism strategy, novel 1,2,4-triazin-...
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Classical QSAR began almost 30 years ago. This article briefly traces its development, use and impact in relation to drug design and medicinal chemistry. Particular aspects discussed include hydrophobicity, relative potency in a series, tissue selectivity, central nervous system penetration, pharmacokinetics, potency optimization, bioisosterism, mechanistic insights, synthesis termination, rece...
متن کاملThe Use of Bioisosterism in Drug Design and Molecular Modification
Bioisosteres are atoms or group of molecules that fit the broadest definition for isosteres. They have chemical and physical similarities thus producing broadly similar biological properties. Many heterocycles, when appropriately substituted exhibits bioisosterism. Bioisosterism represents an approach used by the medicinal chemist for the rational modification of lead compounds into safer and m...
متن کاملArylazolyl(azinyl)thioacetanilides. Part 16: Structure-based bioisosterism design, synthesis and biological evaluation of novel pyrimidinylthioacetanilides as potent HIV-1 inhibitors.
A series of novel pyrimidinylthioacetanilides were designed, synthesized, and evaluated for their biological activity as potent HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). Most of the tested compounds were proved to be effective in inhibiting HIV-1 (IIIB) replication with EC50 ranging from 0.15 μM to 24.2 μM, thereinto compound 15 was the most active lead with favorable inhi...
متن کاملDesign, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
In continuation of our efforts toward the discovery of potent non-nucleoside hepatitis B virus (HBV) inhibitors with novel structures, we have employed bioisosterism and hybrid pharmacophore-based strategy to explore the chemically diverse space of bioactive compounds. In this article, the original thiazole platform was replaced with pyrazole scaffold to yield the optimal pharmacophore moieties...
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