CHAPTER 6. Charge Density Studies and Topological Analysis of Hydrogen Bonds in Proteins

Mandal, Suman Kumar; Munshi, Parthapratim

doi:10.1039/9781788013086-00189

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Structure-activity Relationship Of Pes1

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“…Therefore, a larger negative surface would endow PEs with higher efficiency to get access to the substrate to react. 45–47…”

Section: Resultsmentioning

confidence: 99%

“…Therefore, a larger negative surface would endow PEs with higher efficiency to get access to the substrate to react. [45][46][47] To further verify the intermolecular interaction between PEs and the gastrodin substrate, the complex was analyzed by RDG. RDG was proposed by Yang's group, 48,49 and it can describe the properties of the interacting molecules and the characteristic information of the interaction through graphics.…”

Section: Structure-activity Relationship Of Pesmentioning

confidence: 99%

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A study on the catalytic activity of polypeptides toward the hydrolysis of glucoside compounds gastrodin, polydatin and esculin

et al. 2022

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“…Therefore, a larger negative surface would endow PEs with higher efficiency to get access to the substrate to react. 45–47…”

Section: Resultsmentioning

confidence: 99%

Section: Structure-activity Relationship Of Pesmentioning

confidence: 99%

A study on the catalytic activity of polypeptides toward the hydrolysis of glucoside compounds gastrodin, polydatin and esculin

et al. 2022

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Azopyrazole-Based Photoswitchable Anion Receptor for Dihydrogen Phosphate Transport

Yang

et al. 2020

J. Phys. Chem. A

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Small-molecule anion carriers are potential reagents used in the treatment of diseases caused by dysregulated anion transport. Photoswitchable anion receptors, which can be reversibly switched between isomers by light and thereby cause reversible changes in anion binding affinity, have been receiving enormous interest. Here, based on the well-known photoswitch 1-N-methyl-3-phenylazopyrazole (3pzH), we designed a novel tetramethylamide-3pzH (3pzH_TA) photoswitchable receptor that achieves highly efficient and durable anion transportation. It enables high photoisomerization ratios of E → Z (>98%) and Z → E (97%) with a thermal half-life two times longer than that of 3pzH. We further demonstrated the high sensitivity of 3pzH_TA toward H 2 PO 4 − anion and revealed the key role of hydrogen bonds between H 2 PO 4 − and Z isomer in the strength of anion binding. Our findings open up a new strategy for the rational design and understanding of new types of photoswitchable anion receptors.

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CHAPTER 6. Charge Density Studies and Topological Analysis of Hydrogen Bonds in Proteins

Cited by 2 publications

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A study on the catalytic activity of polypeptides toward the hydrolysis of glucoside compounds gastrodin, polydatin and esculin

A study on the catalytic activity of polypeptides toward the hydrolysis of glucoside compounds gastrodin, polydatin and esculin

Azopyrazole-Based Photoswitchable Anion Receptor for Dihydrogen Phosphate Transport

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