SAR directed design and synthesis of novel β(1-4)-Glucosyltransferase inhibitors and Their In vitro inhibition studies

2002 ◽  
Vol 10 (4) ◽  
pp. 1129-1136 ◽  
Author(s):  
Asish K Bhattacharya ◽  
Florian Stolz ◽  
Jürgen Kurzeck ◽  
Wolfgang Rüger ◽  
Richard R Schmidt
Keyword(s):  
Design And Synthesis ◽  
In Vitro Inhibition ◽  
Directed Design ◽  
Inhibition Studies

ChemInform Abstract: SAR-Directed Design and Synthesis of Novel β(1-4)-Glucosyltransferase Inhibitors and Their in vitro Inhibition Studies.

ChemInform ◽  
2010 ◽  
Vol 33 (20) ◽  
pp. no-no
Author(s):  
Asish k. Bhattacharya ◽  
Florian Stolz ◽  
Juergen Kurzeck ◽  
Wolfgang Rueger ◽  
Richard R. Schmidt
Keyword(s):  
Design And Synthesis ◽  
In Vitro Inhibition ◽  
Directed Design ◽  
Inhibition Studies

Structure-based synthesis: From natural products to drug prototypes

2009 ◽  
Vol 81 (6) ◽  
pp. 1085-1091 ◽  
Author(s):  
Stephen Hanessian
Keyword(s):  
Natural Products ◽  
Total Synthesis ◽  
Design Element ◽  
X Ray ◽  
Design And Synthesis ◽  
Highly Active ◽  
In Vitro Inhibition ◽  
Inhibitory Activities ◽  
Active Natural

X-ray crystallographic data available from complexes of natural and synthetic molecules with the enzyme thrombin has led to the design and synthesis of truncated and hydrid molecules exhibiting excellent inhibition in vitro. The design element has also been extended to the synthesis and in vitro inhibition of a series of achiral molecules deploying aromatic and heterocyclic core motifs with appropriately functionalized appendages that provide excellent binding interactions at the S1, S2, and S3 sites of thrombin. Excellent selectivity for thrombin over trypsin has also been observed. Thus, studies in total synthesis of highly active natural aeruginosins have inspired further work toward truncated and hybrid analogs with excellent inhibitory activities. Structure-based organic synthesis has guided our research from natural products toward unnatural drug-like prototypes.

Characterization and in Vitro Inhibition Studies of Bacillus anthracis FtsZ: A Potential Antibacterial Target

2014 ◽  
Vol 172 (6) ◽  
pp. 3263-3270 ◽  
Author(s):  
Hae-Chul Park ◽  
Vinayakumar Gedi ◽  
June-Haeng Cho ◽  
Jae-Wook Hyun ◽  
Kwang-Jick Lee ◽  
...  
Keyword(s):  
Bacillus Anthracis ◽  
In Vitro Inhibition ◽  
Antibacterial Target ◽  
Inhibition Studies

scholarly journals Application of Static Modeling ­­in the Prediction of In Vivo Drug–Drug Interactions between Rivaroxaban and Antiarrhythmic Agents Based on In Vitro Inhibition Studies

2017 ◽  
Vol 45 (3) ◽  
pp. 260-268 ◽  
Author(s):  
Eleanor Jing Yi Cheong ◽  
Janice Jia Ni Goh ◽  
Yanjun Hong ◽  
Gopalakrishnan Venkatesan ◽  
Yuanjie Liu ◽  
...  
Keyword(s):  
Drug Interactions ◽  
Antiarrhythmic Agents ◽  
Static Modeling ◽  
In Vitro Inhibition ◽  
Inhibition Studies

scholarly journals Synthesis and Inhibition Activity Study of Triazinyl-Substituted Amino(alkyl)-benzenesulfonamide Conjugates with Polar and Hydrophobic Amino Acids as Inhibitors of Human Carbonic Anhydrases I, II, IV, IX, and XII

2021 ◽  
Vol 22 (20) ◽  
pp. 11283
Author(s):  
Mária Bodnár Mikulová ◽  
Dáša Kružlicová ◽  
Daniel Pecher ◽  
Andrea Petreni ◽  
Claudiu T. Supuran ◽  
...  
Keyword(s):  
Amino Acids ◽  
Side Chain ◽  
Carbonic Anhydrases ◽  
Inhibition Activity ◽  
Short Reaction Time ◽  
High Affinity ◽  
Hydrophobic Amino Acids ◽  
In Vitro Inhibition ◽  
Inhibition Studies

Primary sulfonamide derivatives with various heterocycles represent the most widespread group of potential human carbonic anhydrase (hCA) inhibitors with high affinity and selectivity towards specific isozymes from the hCA family. In this work, new 4-aminomethyl- and aminoethyl-benzenesulfonamide derivatives with 1,3,5-triazine disubstituted with a pair of identical amino acids, possessing a polar (Ser, Thr, Asn, Gln) and non-polar (Ala, Tyr, Trp) side chain, have been synthesized. The optimized synthetic, purification, and isolation procedures provided several pronounced benefits such as a short reaction time (in sodium bicarbonate aqueous medium), satisfactory yields for the majority of new products (20.6–91.8%, average 60.4%), an effective, well defined semi-preparative RP-C18 liquid chromatography (LC) isolation of desired products with a high purity (>97%), as well as preservation of green chemistry principles. These newly synthesized conjugates, plus their 4-aminobenzenesulfonamide analogues prepared previously, have been investigated in in vitro inhibition studies towards hCA I, II, IV and tumor-associated isozymes IX and XII. The experimental results revealed the strongest inhibition of hCA XII with low nanomolar inhibitory constants (Kis) for the derivatives with amino acids possessing non-polar side chains (7.5–9.6 nM). Various derivatives were also promising for some other isozymes.

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