Matches in SemOpenAlex for { <https://semopenalex.org/work/W2596064273> ?p ?o ?g. }
- W2596064273 endingPage "135" @default.
- W2596064273 startingPage "108" @default.
- W2596064273 abstract "Chemical weapons are a major worldwide problem, since they are inexpensive, easy to produce on a large scale and difficult to detect and control. Among the chemical warfare agents, we can highlight the organophosphorus compounds (OP), which contain the phosphorus element and that have a large number of applications. They affect the central nervous system and can lead to death, so there are a lot of works in order to design new effective antidotes for the intoxication caused by them. The standard treatment includes the use of an anticholinergic combined to a central nervous system depressor and an oxime. Oximes are compounds that reactivate Acetylcholinesterase (AChE), a regulatory enzyme responsible for the transmission of nerve impulses, which is one of the molecular targets most vulnerable to neurotoxic agents. Increasingly, enzymatic treatment becomes a promising alternative; therefore, other enzymes have been studied for the OP degradation function, such as phosphotriesterase (PTE) from bacteria, human serum paraoxonase 1 (HssPON1) and diisopropyl fluorophosphatase (DFPase) that showed significant performances in OP detoxification. The understanding of mechanisms by which enzymes act is of extreme importance for the projection of antidotes for warfare agents, and computational chemistry comes to aid and reduce the time and costs of the process. Molecular Docking, Molecular Dynamics and QM/MM (quantum-mechanics/molecular-mechanics) are techniques used to investigate the molecular interactions between ligands and proteins." @default.
- W2596064273 created "2017-03-23" @default.
- W2596064273 creator A5002042166 @default.
- W2596064273 creator A5025860298 @default.
- W2596064273 creator A5026598731 @default.
- W2596064273 creator A5040426317 @default.
- W2596064273 creator A5041099846 @default.
- W2596064273 creator A5045174108 @default.
- W2596064273 creator A5062316581 @default.
- W2596064273 creator A5076775419 @default.
- W2596064273 date "2017-01-01" @default.
- W2596064273 modified "2023-10-17" @default.
- W2596064273 title "Computational enzymology for degradation of chemical warfare agents: promising technologies for remediation processes" @default.
- W2596064273 cites W1128548427 @default.
- W2596064273 cites W117197154 @default.
- W2596064273 cites W1513150088 @default.
- W2596064273 cites W1555195606 @default.
- W2596064273 cites W1574816328 @default.
- W2596064273 cites W1592741796 @default.
- W2596064273 cites W1621307934 @default.
- W2596064273 cites W1671050155 @default.
- W2596064273 cites W1963485224 @default.
- W2596064273 cites W1966830656 @default.
- W2596064273 cites W1967184567 @default.
- W2596064273 cites W1970368387 @default.
- W2596064273 cites W1970658820 @default.
- W2596064273 cites W1973021665 @default.
- W2596064273 cites W1975559843 @default.
- W2596064273 cites W1978063268 @default.
- W2596064273 cites W1980635417 @default.
- W2596064273 cites W1983931091 @default.
- W2596064273 cites W1993140636 @default.
- W2596064273 cites W1996059038 @default.
- W2596064273 cites W1999025443 @default.
- W2596064273 cites W2000129478 @default.
- W2596064273 cites W2004725085 @default.
- W2596064273 cites W2007925529 @default.
- W2596064273 cites W2008047291 @default.
- W2596064273 cites W2010462663 @default.
- W2596064273 cites W2010719165 @default.
- W2596064273 cites W2013282241 @default.
- W2596064273 cites W2014921342 @default.
- W2596064273 cites W2014952106 @default.
- W2596064273 cites W2015544061 @default.
- W2596064273 cites W2015769112 @default.
- W2596064273 cites W2016649704 @default.
- W2596064273 cites W2019110619 @default.
- W2596064273 cites W2019555480 @default.
- W2596064273 cites W2021704864 @default.
- W2596064273 cites W2021784246 @default.
- W2596064273 cites W2023508534 @default.
- W2596064273 cites W2023602117 @default.
- W2596064273 cites W2024060531 @default.
- W2596064273 cites W2024328043 @default.
- W2596064273 cites W2026212828 @default.
- W2596064273 cites W2028825585 @default.
- W2596064273 cites W2029195391 @default.
- W2596064273 cites W2029593603 @default.
- W2596064273 cites W2029669944 @default.
- W2596064273 cites W2029706628 @default.
- W2596064273 cites W2030925785 @default.
- W2596064273 cites W2032550949 @default.
- W2596064273 cites W2033906450 @default.
- W2596064273 cites W2038401611 @default.
- W2596064273 cites W2040103562 @default.
- W2596064273 cites W2040752601 @default.
- W2596064273 cites W2041705038 @default.
- W2596064273 cites W2042237171 @default.
- W2596064273 cites W2043855224 @default.
- W2596064273 cites W2046733793 @default.
- W2596064273 cites W2050082784 @default.
- W2596064273 cites W2050456292 @default.
- W2596064273 cites W2050802295 @default.
- W2596064273 cites W2051163038 @default.
- W2596064273 cites W2053346818 @default.
- W2596064273 cites W2054457861 @default.
- W2596064273 cites W2056586422 @default.
- W2596064273 cites W2057514346 @default.
- W2596064273 cites W2059377985 @default.
- W2596064273 cites W2061053428 @default.
- W2596064273 cites W2061116897 @default.
- W2596064273 cites W2067455153 @default.
- W2596064273 cites W2067807344 @default.
- W2596064273 cites W2071075915 @default.
- W2596064273 cites W2071822446 @default.
- W2596064273 cites W2074572100 @default.
- W2596064273 cites W2074766125 @default.
- W2596064273 cites W2077019412 @default.
- W2596064273 cites W2080120578 @default.
- W2596064273 cites W2080249432 @default.
- W2596064273 cites W2081927835 @default.
- W2596064273 cites W2084711599 @default.
- W2596064273 cites W2085382883 @default.
- W2596064273 cites W2088263146 @default.
- W2596064273 cites W2091861234 @default.
- W2596064273 cites W2093221728 @default.
- W2596064273 cites W2102066010 @default.
- W2596064273 cites W2103815459 @default.