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Synthesis, HIV-1 RT inhibitory, antibacterial, antifungal and binding mode studies of some novel N-substituted 5-benzylidine-2,4-thiazolidinediones

Bahare, Radhe Shyam ; Ganguly, Swastika ; Choowongkomon, Kiattawee ; Seetaha, Supaporn

Daru, 2015-01, Vol.23 (1), p.6-6, Article 6 [Revista revisada por pares]

London: BioMed Central

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Synthesis, HIV-1 RT inhibitory, antibacterial, antifungal and binding mode studies of some novel N-substituted 5-benzylidine-2,4-thiazolidinediones
Autor: Bahare, Radhe Shyam ; Ganguly, Swastika ; Choowongkomon, Kiattawee ; Seetaha, Supaporn
Materias: Analysis ; Anti-Bacterial Agents - chemical synthesis ; Anti-Bacterial Agents - chemistry ; Anti-Bacterial Agents - metabolism ; Anti-Bacterial Agents - pharmacology ; Anti-HIV Agents - chemical synthesis ; Anti-HIV Agents - chemistry ; Anti-HIV Agents - metabolism ; Anti-HIV Agents - pharmacology ; Antibacterial agents ; Antifungal agents ; Antifungal Agents - chemical synthesis ; Antifungal Agents - chemistry ; Antifungal Agents - metabolism ; Antifungal Agents - pharmacokinetics ; Binding Sites ; Biomedical and Life Sciences ; Biomedicine ; Candida albicans - drug effects ; Candida albicans - enzymology ; Candida albicans - growth & development ; Cytochrome P-450 Enzyme System - chemistry ; Cytochrome P-450 Enzyme System - metabolism ; Drug Design ; Enzyme Inhibitors - chemical synthesis ; Enzyme Inhibitors - chemistry ; Enzyme Inhibitors - metabolism ; Enzyme Inhibitors - pharmacology ; Fungal Proteins - antagonists & inhibitors ; Fungal Proteins - chemistry ; Fungal Proteins - metabolism ; Glutamine-Fructose-6-Phosphate Transaminase (Isomerizing) - antagonists & inhibitors ; Glutamine-Fructose-6-Phosphate Transaminase (Isomerizing) - chemistry ; Glutamine-Fructose-6-Phosphate Transaminase (Isomerizing) - metabolism ; Health aspects ; HIV (Viruses) ; HIV Reverse Transcriptase - antagonists & inhibitors ; HIV Reverse Transcriptase - chemistry ; HIV Reverse Transcriptase - metabolism ; HIV testing ; Kinetics ; Ligands ; Medicinal Chemistry ; Microbial Sensitivity Tests ; Models, Molecular ; Molecular Conformation ; Molecular Docking Simulation ; Pharmaceutical Sciences/Technology ; Pharmacology/Toxicology ; Protein Binding ; Research Article ; Reverse Transcriptase Inhibitors - chemical synthesis ; Reverse Transcriptase Inhibitors - chemistry ; Reverse Transcriptase Inhibitors - metabolism ; Reverse Transcriptase Inhibitors - pharmacology ; Structure-Activity Relationship ; Thiazolidinediones ; Thiazolidinediones - chemical synthesis ; Thiazolidinediones - chemistry ; Thiazolidinediones - metabolism ; Thiazolidinediones - pharmacology
Es parte de: Daru, 2015-01, Vol.23 (1), p.6-6, Article 6
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SourceType-Scholarly Journals-1
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Descripción: Background Structural modifications of thiazolidinediones at 3 rd and 5 th position have exhibited significant biological activities. In view of the facts, and based on in silico studies carried out on thiazolidine-2,4-diones as HIV-1- RT inhibitors, a novel series of 2,4-thiazolidinedione analogs have been designed and synthesized. Methods Title compounds were prepared by the reported method. Conformations of the structures were assigned on the basis of results of different spectral data. The assay of HIV-1 RT was done as reported by Silprasit et al. Antimicrobial activity was determined by two fold serial dilution method. Docking study was performed for the highest active compounds by using Glide 5.0. Results The newly synthesized compounds were evaluated for their HIV-1 RT inhibitory activity. Among the synthesized compounds, compound 24 showed significant HIV-1 RT inhibitory activity with 73% of inhibition with an IC 50 value of 1.31 μM. Compound 10 showed highest activity against all the bacterial strains. A molecular modeling study was carried out in order to investigate the possible interactions of the highest active compounds 24 , 10 and 4 with the non nucleoside inhibitory binding pocket(NNIBP) of RT, active site of GlcN-6-P synthase and cytochrome P450 14-α-sterol demethylase from Candida albicans ( Candida P450DM) as the target receptors respectively using the Extra Precision (XP) mode of Glide software. Conclusion A series of novel substituted 2-(5-benzylidene-2,4-dioxothiazolidin-3-yl)- N -(phenyl)propanamides ( 4 – 31 ) have been synthesized and evaluated for their HIV-1 RT inhibitory activity, antibacterial and antifungal activities. Some of the compounds have shown significant activity. Molecular docking studies showed very good interaction.
Editor: London: BioMed Central
Idioma: Inglés

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Synthesis, HIV-1 RT inhibitory, antibacterial, antifungal and binding mode studies of some novel N-substituted 5-benzylidine-2,4-thiazolidinediones

Bahare, Radhe Shyam ; Ganguly, Swastika ; Choowongkomon, Kiattawee ; Seetaha, Supaporn

London: BioMed Central

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