Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Development of protocol for in silico design of compounds inhibit Ebola virus infection

2016/21/N/NZ2/01725

Keywords:

computer aided drug design virtual screening Ebola virus docking

Descriptors:

  • NZ2_7: Bioinformatics
  • NZ7_14: Pharmacy, pharmacotherapy, pharmacology
  • ST6_12: Scientific computing, simulation and modelling tools

Panel:

NZ2 - Genetics, genomics: molecular genetics, genomics, proteomics, bioinformatics, systems biology, genetic epidemiology

Host institution :

Instytut Farmakologii Polskiej Akademii Nauk

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Dawid Warszycki 

Number of co-investigators in the project: 2

Call: PRELUDIUM 11 - announced on 2016-03-15

Amount awarded: 47 000 PLN

Project start date (Y-m-d): 2017-01-27

Project end date (Y-m-d): 2018-07-26

Project duration:: 18 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Wysokiej klasy laptop (5 000 PLN)

Information in the final report

  • Publication in academic press/journals (2)
  1. Synthesis and Evaluation of 2,4,6-Trisubstituted 1,3,5-triazine as Selective Inhibitors of Human Cathepsin S
    Authors:
    Zahira Tber, Mylène Wartenberg, Vincent Roy, Jean-Eddy Jacques, Fabien Lecaille, Dawid Warszycki, Andrzej J. Bojarski, Gilles Lalmanach, Luigi A. Agrofoglio
    Academic press:
    BIOORGANIC & MEDICINAL CHEMISTRY (rok: 2018, tom: 26, strony: 4310-4319), Wydawca: PERGAMON-ELSEVIER SCIENCE LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
    Status:
    Published
    DOI:
    10.1016/j.bmc.2018.07.032 - link to the publication
  2. Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands
    Authors:
    Dawid Warszycki, Marek Śmieja, Rafal Kafel
    Academic press:
    Molecular Diversity (rok: 2017, tom: 21, strony: 407-412), Wydawca: Springer International Publishing
    Status:
    Published
    DOI:
    10.1007/s11030-017-9729-8 - link to the publication

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