Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Projektowanie nowych związków, wpływających na agregację beta-amyloidu oraz przekaźnictwo cholinergiczne, metodami modelowania molekularnego.

2012/04/S/NZ2/00116

Keywords:

Descriptors:

  • NZ2_8: Computational biology
  • NZ2_10: Biological systems analysis, modelling and simulation
  • NZ7_14: Pharmacy, pharmacotherapy, pharmacology

Panel:

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

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Marek Bajda 

Number of co-investigators in the project: 2

Call: FUGA 1 - announced on 2011-12-15

Amount awarded: 294 000 PLN

Project start date (Y-m-d): 2012-10-01

Project end date (Y-m-d): 2014-03-31

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

Project status: Project settled

Information in the final report

  • Publication in academic press/journals (9)
  1. A hybrid approach to structure and function modeling of G protein-coupled receptors
    Authors:
    Latek Dorota, Bajda Marek, Filipek Sławomir
    Academic press:
    Journal of Chemical Information and Modeling (rok: 2016, tom: 56, strony: 630-641), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.jcim.5b00451 - link to the publication
  2. Novel synthesis of dihydropyrimidines for alpha-glucosidase inhibition to treat type 2 diabetes: in vitro biological evaluation and in silico docking
    Authors:
    Yar Muhammad, Bajda Marek, Shahzadi Lubna, Shahzad Sohail, Ahmed Maqsood, Ashraf Muhammad, Alam Umber, Khan Islam, Khan Ather
    Academic press:
    Bioorganic Chemistry (rok: 2014, tom: 56, strony: 96-104), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bioorg.2014.05.003 - link to the publication
  3. Study of early stages of amyloid Abeta13-23 formation using molecular dynamics simulation in implicit environments
    Authors:
    Bajda Marek, Filipek Sławomir
    Academic press:
    Computational Biology and Chemistry (rok: 2015, tom: 56, strony: 13-18), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.compbiolchem.2015.02.014 - link to the publication
  4. Organocatalyzed solvent free an efficient novel synthesis of 2,4,5-trisubstituted imidazoles for alpha-glucosidase inhibition to treat diabetes
    Authors:
    Yar Muhammad, Bajda Marek, Shahzad Sohail, Ullah Nisar, Gilani MazharAmjad, Ashraf Muhammad, Rauf Abdul, Shaukat Ayesha
    Academic press:
    Bioorganic Chemistry (rok: 2015, tom: 58, strony: 65-71), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bioorg.2014.11.006 - link to the publication
  5. Application of computational methods for the design of BACE-1 inhibitors: validation of in silico modelling
    Authors:
    Bajda Marek, Jończyk Jakub, Malawska Barbara, Filipek Sławomir
    Academic press:
    International Journal of Molecular Sciences (rok: 2014, tom: 15(3), strony: 5128-5139), Wydawca: Multidisciplinary Digital Publishing Institute
    Status:
    Published
    DOI:
    10.3390/ijms15035128 - link to the publication
  6. Design and synthesis of new dual binding site cholinesterase inhibitors: in vitro inhibition studies with in silico docking
    Authors:
    Yar Muhammad, Bajda Marek, Mehmood Rana Atif, Sidra Lala Rukh, Ullaah Nisar, Shahzadi Lubna, Ashraf Muhammad, Ismail Tayaba, Shahzad Anjum Sohail, Khan Zulfiqar Ali, Naqvi Syed Ali Raza, Mahmood Nasir
    Academic press:
    Letters in Drug Design & Discovery (rok: 2014, tom: 11(3), strony: 331-338), Wydawca: Bentham Science Publishers
    Status:
    Published
    DOI:
    10.2174/15701808113106660078 - link to the publication
  7. Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation
    Authors:
    Panek Dawid, Więckowska Anna, Wichur Tomasz, Bajda Marek, Godyń Justyna, Jończyk Jakub, Mika Kamil, Janockova Jana, Soukup Ondrej, Knez Damijan, Korabecny Jan, Gobec Stanislav, Malawska Barbara
    Academic press:
    European Journal of Medicinal Chemistry (rok: 2017, tom: 125, strony: 676-695), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ejmech.2016.09.078 - link to the publication
  8. Computational approach for the assessment of inhibitory potency against beta-amyloid aggregation
    Authors:
    Bajda Marek, Filipek Sławomir
    Academic press:
    Bioorganic & Medicinal Chemistry Letters (rok: 2016, tom: bd., strony: bd.), Wydawca: Elsevier
    Status:
    Accepted for publication
    DOI:
    10.1016/j.bmcl.2016.11.072 - link to the publication
  9. Synthesis and biological evaluation of novel oxadiazole derivatives: A new class of thymidine phosphorylase inhibitors as potential anti-tumor agents
    Authors:
    Shahzad Sohail Anjum, Yar Muhammad, Bajda Marek, Jadoon Bushra, Khan Zulfiqar Ali, Naqvi Syed Ali Raza, Shaikh Ahson Jabbar, Hayat Khizar, Mahmmod Adeem, Mahmood Nasir, Filipek Sławomir
    Academic press:
    Bioorganic & Medicinal Chemistry (rok: 2014, tom: 22(3), strony: 1008-1015), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bmc.2013.12.043 - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy