Molecular Modeling Study of Uncharged Oximes Compared to HI‑6 and 2‑PAM Inside Human AChE Sarin and VX Conjugates

• Felipe Rodrigues de Souza,
• Danielle Rodrigues Garcia,
• Teobaldo Cuya,
• André Silva Pimentel,
• Arlan da Silva Gonçalves,
• Ricardo Bicca de Alencastro,
• Tanos Celmar Costa França

Affiliations

Felipe Rodrigues de Souza

Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro/RJ, Brazil

Danielle Rodrigues Garcia

Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro/RJ, Brazil

Teobaldo Cuya

Faculty of Technology, University of the State of Rio de Janeiro, Resende/RJ, Brazil

André Silva Pimentel

Department of Chemistry, Pontifical Catholic University of Rio de Janeiro, Rio de Janeiro/RJ, Brazil

Arlan da Silva Gonçalves

Postgraduate Program in Sustainable Technologies (PPGTECS), Federal Institute of Education Science and Technology of Espı́rito Santo, Vila Velha/ES, Brazil

Ricardo Bicca de Alencastro

Chemistry Institute, Federal University of Rio de Janeiro, Rio de Janeiro/RJ, Brazil

Tanos Celmar Costa França

Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro/RJ, Brazil