Biological Activity in Steroids Possessing Nitrogen Atoms: Part II. Steroidal Alkaloids

Alauddin, M.; Martin‐Smith, M.

doi:10.1111/j.2042-7158.1962.tb11127.x

Cited by 31 publications

(5 citation statements)

References 138 publications

(52 reference statements)

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“…In the past few decades, numerous nonsteroidal and steroidal compounds have been prepared as competitive or noncompetitive inhibitors of 5AR [24,25]. In 1992, Finasteride (MK-906) was approved as the first 5-alpha reductase inhibitor (5ARI) in the United States for the clinical management of BPH.…”

Section: In Silico 5-alpha Reductase Activity Prediction Using Sbddmentioning

confidence: 99%

Computer-Aided Drug Design and Development: An Integrated Approach

Dhingra¹

2022

Drug Development Life Cycle

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Drug discovery and development is a very time- and resource-consuming process. Comprehensive knowledge of chemistry has been integrated with information technology to streamline drug discovery, design, development, and optimization. Computer-aided drug design is being utilized to expedite and facilitate hit identification, hit-to-lead selection, and optimize the absorption, distribution, metabolism, excretion, and toxicity profile. Regulatory organizations and the pharmaceutical industry are continuously involved in the development of computational techniques that will improve the effectiveness and efficiency of the drug discovery process while decreasing the use of animals, cost, and time and increasing predictability. The present chapter will provide an overview of computational tools, such as structure-based and receptor-based drug designing, and how the coupling of these tools with a rational drug design process has led to the discovery of small molecules as therapeutic agents for numerous human disease conditions duly approved by the Food and Drug Administration. It is expected that the power of CADD will grow as the technology continues to evolve.

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Section: In Silico 5-alpha Reductase Activity Prediction Using Sbddmentioning

confidence: 99%

Computer-Aided Drug Design and Development: An Integrated Approach

Dhingra¹

2022

Drug Development Life Cycle

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“…Singh and coworkers [13,14] as well as other groups have published comprehensive reviews on biological activity of azasteroids [15]. This is probably due to the fact that an -NH-group is isosteric with methylene group.…”

Section: Introductionmentioning

confidence: 96%

3D-QSAR studies on unsaturated 4-azasteroids as human 5α-reductase inhibitors: A self organizing molecular field analysis approach

Aggarwal

Thareja

Bhardwaj

et al. 2010

European Journal of Medicinal Chemistry

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“…Similarly, N-substituted hexahydroazapines have also been found to possess signi�cant biological activities particularly they are used as an antitussive, mydriatics, antispasmodics, and oral hypoglycemic [19]. A substantial amount of biologically relevant azasteroids have been reported by Martin-Smith et al [20][21][22]. During the last decade, a number of azasteroids have been synthesized as 5 -reductase inhibitors [23][24][25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Spectral Characterization, andIn VitroCytotoxicity of N-2′-Hydroxyethyl-Substituted Azacholestanes Prepared from 6-Oxocholestanes by Modified Schmidt Reaction

Nami

Khan

Alam

et al. 2013

Journal of Spectroscopy

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The present paper reports the synthesis and spectroscopic characterization of few N-2′-hydroxyethyl-substituted azacholestanes using BF3-OEt2, TiCl4, SnCl4, and H2SO4as catalysts in moderate yields by a modified version of Schmidt reaction. A notable feature is the passivity of SnCl4in case of 3β-acetoxy-N-2′-hydroxyethyl-6-aza-B-homo-5α-cholestan-7-one and 3β-chloro-N-2′-hydroxyethyl-6-aza-B-homo-5α-cholestan-7-one. However, the reaction was unsuccessful in case of N-2′-Hydroxyethyl-6-aza-B-homo-5α-cholestan-7-one. Another striking aspect is the attainment of high yield in case of H2SO4as catalyst. The semisolid compounds are characterized using various spectroscopic techniques such as FT-IR,1H-NMR and mass spectra, and microanalytical data. A reaction mechanism has been proposed on the basis of previous studies. Moreover, the compounds have also been screened for theirin vitrocytotoxicity against human colon carcinoma cell line, HCT116, and human liver hepatocellular carcinoma cell line, HepG2, using doxorubicin as standard. On the basis of IC50values, 3β-chloro-N-2′-hydroxyethyl-6-aza-B-homo-5α-cholestan-7-one (5) was found to inhibit the cancer cells most effectively.

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Biological Activity in Steroids Possessing Nitrogen Atoms: Part II. Steroidal Alkaloids

Cited by 31 publications

References 138 publications

Computer-Aided Drug Design and Development: An Integrated Approach

Computer-Aided Drug Design and Development: An Integrated Approach

3D-QSAR studies on unsaturated 4-azasteroids as human 5α-reductase inhibitors: A self organizing molecular field analysis approach

Synthesis, Spectral Characterization, andIn VitroCytotoxicity of N-2′-Hydroxyethyl-Substituted Azacholestanes Prepared from 6-Oxocholestanes by Modified Schmidt Reaction

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