The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies

Author:

Lo Rabindranath1234,Chandar Nellore Bhanu12345,Ghosh Shibaji12345,Ganguly Bishwajit12345

Affiliation:

1. Computation and Simulation Unit (Analytical Division and Centralized Instrument Facility)

2. CSIR-Central Salt & Marine Chemicals Research Institute

3. Bhavnagar

4. India-364 002

5. Academy of Scientific and Innovative Research

Abstract

Tabun inhibited AChE can be reactivated more easily with a single mutant than with a wild-type or double mutant: an in silico study.

Publisher

Royal Society of Chemistry (RSC)

Subject

Molecular Biology,Biotechnology

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2. P. Taylor , in The Pharmacological Basis of Therapeutics, ed. A. G. Gilman, L. S. Goodman, T. W. Rall and F. Murad, Macmillan, New York, 8th edn, 1990, pp. 131–149

3. Organophosphate poisoning

4. Chemical warfare agents: II. nerve agents

5. Convention on the Prohibition of the Development, Production, Stockpiling and Use of Chemical Weapons and on Their Destruction: The Technical Secretariat of the Organization for the Prohibition of Chemical Weapons, Den Hague, Netherlands, 1993

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