A novel hypothesis-generating computational workflow utilizing reverse pharmacophore mapping-A drug repurposing perspective of istradefylline towards major depressive disorder.

Autor: van der Walt MM; Human Metabolomics, Faculty of Natural and Agricultural Sciences, Potchefstroom Campus, North-West University, Potchefstroom, South Africa., Smith AP; Human Metabolomics, Faculty of Natural and Agricultural Sciences, Potchefstroom Campus, North-West University, Potchefstroom, South Africa.

Publikováno v: British journal of pharmacology [Br J Pharmacol] 2024 Oct 15. Date of Electronic Publication: 2024 Oct 15.

In Silico Drug Discovery Strategies Identified ADMET Properties of Decoquinate RMB041 and Its Potential Drug Targets against Mycobacterium tuberculosis.

Autor: Knoll KE; Human Metabolomics, North-West Universitygrid.25881.36, Potchefstroom, South Africa., van der Walt MM; Human Metabolomics, North-West Universitygrid.25881.36, Potchefstroom, South Africa., Loots DT; Human Metabolomics, North-West Universitygrid.25881.36, Potchefstroom, South Africa.

Publikováno v: Microbiology spectrum [Microbiol Spectr] 2022 Apr 27; Vol. 10 (2), pp. e0231521. Date of Electronic Publication: 2022 Mar 30.

C2-substituted quinazolinone derivatives exhibit A 1 and/or A 2A adenosine receptor affinities in the low micromolar range.

Autor: Pieterse L; Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa., van der Walt MM; Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa; Human Metabolomics, Faculty of Natural and Agricultural Science, North-West University, Private Bag X6001, Box 269, Potchefstroom 2531, South Africa. Electronic address: 13035134@nwu.ac.za., Terre'Blanche G; Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa; Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Publikováno v: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2020 Aug 15; Vol. 30 (16), pp. 127274. Date of Electronic Publication: 2020 May 22.

8-(3-phenylpropyl)-1,3,7-triethylxanthine is a synthetic caffeine substitute with stronger metabolic modulator activity.

Autor: Carrageta DF; University of Beira Interior, Rua Marquês d'Ávila e Bolama, 6201-001 Covilhã, Portugal; Department of Microscopy, Laboratory of Cell Biology, Unit for Multidisciplinary Research in Biomedicine (UMIB), Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto, Rua Jorge Viterbo Ferreira, 4050-313 Porto, Portugal., Dias TR; University of Beira Interior, Rua Marquês d'Ávila e Bolama, 6201-001 Covilhã, Portugal; Department of Microscopy, Laboratory of Cell Biology, Unit for Multidisciplinary Research in Biomedicine (UMIB), Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto, Rua Jorge Viterbo Ferreira, 4050-313 Porto, Portugal., Jarak I; University of Beira Interior, Rua Marquês d'Ávila e Bolama, 6201-001 Covilhã, Portugal; Department of Microscopy, Laboratory of Cell Biology, Unit for Multidisciplinary Research in Biomedicine (UMIB), Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto, Rua Jorge Viterbo Ferreira, 4050-313 Porto, Portugal; Department of Life Sciences, Faculty of Sciences and Technology and Centre for Functional Ecology (CFE), University of Coimbra, Coimbra, Portugal., Alves MG; Department of Microscopy, Laboratory of Cell Biology, Unit for Multidisciplinary Research in Biomedicine (UMIB), Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto, Rua Jorge Viterbo Ferreira, 4050-313 Porto, Portugal., Oliveira PF; Department of Microscopy, Laboratory of Cell Biology, Unit for Multidisciplinary Research in Biomedicine (UMIB), Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto, Rua Jorge Viterbo Ferreira, 4050-313 Porto, Portugal; i3S - Instituto de Investigação e Inovação em Saúde, Universidade do Porto, Rua Alfredo Allen, 4200-135 Porto, Portugal., Van der Walt MM; Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa; Human Metabolomics, North-West University, Private Bag X6001, Box 269, Potchefstroom 2520, South Africa., Terre'Blanche G; Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa., Monteiro MP; Department of Anatomy, Unit for Multidisciplinary Research in Biomedicine (UMIB), Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto, Rua Jorge Viterbo Ferreira, 4050-313 Porto, Portugal., Silva BM; University of Beira Interior, Rua Marquês d'Ávila e Bolama, 6201-001 Covilhã, Portugal. Electronic address: bmcms@ubi.pt.

Publikováno v: Toxicology in vitro : an international journal published in association with BIBRA [Toxicol In Vitro] 2018 Dec; Vol. 53, pp. 114-120. Date of Electronic Publication: 2018 Aug 09.

Evaluation of 2-benzylidene-1-tetralone derivatives as antagonists of A 1 and A 2A adenosine receptors.

Autor: Legoabe LJ; Centre of Excellence for Pharmaceutical Sciences, North-West University, Potchefstroom, South Africa., Van der Walt MM; Centre of Excellence for Pharmaceutical Sciences, North-West University, Potchefstroom, South Africa., Terre'Blanche G; Centre of Excellence for Pharmaceutical Sciences, North-West University, Potchefstroom, South Africa.; Pharmaceutical Chemistry, School of Pharmacy, North-West University, Potchefstroom, South Africa.

Publikováno v: Chemical biology & drug design [Chem Biol Drug Des] 2018 Jan; Vol. 91 (1), pp. 234-244. Date of Electronic Publication: 2017 Aug 16.