Pub. Date : 2020 Mar 10
PMID : 32175496
6 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Molecular Modeling Study of Uncharged Oximes Compared to HI-6 and 2-PAM Inside Human AChE Sarin and VX Conjugates. | Oximes | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 2 | HI-6 and 2-PAM are cationic oximes proved to be effective for the reactivation of AChE inhibited by the nerve agents VX and sarin (GB). | Oximes | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 3 | Uncharged oximes appear as an interesting alternative to solve this problem, but the development and enhancement of more efficient uncharged oximes capable of reactivating human AChE is still necessary. | Oximes | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 4 | Uncharged oximes appear as an interesting alternative to solve this problem, but the development and enhancement of more efficient uncharged oximes capable of reactivating human AChE is still necessary. | Oximes | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 5 | The uncharged oximes showed different behaviors, especially RS194B, which presented stability inside AChE-VX, but presented free binding energy lower than cationic oximes, suggesting that structural alterations could favor its interactions with these complexes. | Oximes | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 6 | In contrast, HI-6 and 2-PAM showed higher affinities with more negative binding energy values and larger contribution of the amino acid Asp74, demonstrating the importance of the quaternary nitrogen to the affinity and interaction of oximes with AChE-GB and AChE-VX conjugates. | Oximes | acetylcholinesterase (Cartwright blood group) | Homo sapiens |