Design, synthesis, biological evaluation and molecular modelling of substituted pyrrolo[2,1-a]isoquinolinone derivatives: discovery of potent inhibitors of AChE and BChE-Reference-Cited by-同舟云学术

Design, synthesis, biological evaluation and molecular modelling of substituted pyrrolo[2,1-a]isoquinolinone derivatives: discovery of potent inhibitors of AChE and BChE

Published:2021 Issue:18 Volume:45 Page:8321-8334
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Parravicini Oscar¹²³⁴⁵^ORCID,Angelina Emilio⁶⁷⁸⁹¹⁰^ORCID,Spinelli Roque¹¹¹²¹³¹⁴¹⁵^ORCID,Garibotto Francisco¹²³⁴⁵^ORCID,Siano Álvaro S.¹¹¹²¹³¹⁴¹⁵^ORCID,Vila Laura¹⁶¹⁷¹⁸^ORCID,Cabedo Nuria¹⁶¹⁷¹⁸¹⁹²⁰^ORCID,Cortes Diego¹⁹²⁰²¹²²¹⁸^ORCID,Enriz Ricardo D.¹²³⁴⁵^ORCID

Affiliation:

1. Facultad de Química

2. Bioquímica y Farmacia

3. Universidad Nacional de San Luis

4. Instituto Multidisciplinario de Investigaciones Biológicas (IMIBIO-SL)

5. 5700 San Luis

6. Laboratorio de Estructura Molecular y Propiedades

7. IQUIBA-NEA

8. Universidad Nacional del Nordeste

9. CONICET

10. FaCENA

11. Laboratorio de Péptidos Bioactivos

12. Departamento de Química Orgánica

13. Facultad de Bioquímica y Ciencias Biológicas

14. Universidad Nacional del Litoral

15. Santa Fe

16. Instituto de Investigación Sanitaria INCLIVA

17. 46010 Valencia

18. Spain

19. Departamento de Farmacología

20. Facultad de Farmacia

21. Universidad de Valencia

22. 46100 Burjassot

Abstract

Study of the molecular interactions in L–R complexes of acetyl- and butyryl-cholinesterase using MD/QTAIM calculations for designing new potent cholinesterase inhibitors.

Funder

Instituto de Salud Carlos III

Agencia Nacional de Promoción Científica y Tecnológica

Universidad Nacional de San Luis

Ministerio de Economía y Competitividad

European Regional Development Fund

European Social Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D1NJ00345C

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