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Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations.
J Comput Aided Mol Des. 2023 Jun;37(5-6):245-264. doi: 10.1007/s10822-023-00504-6. Epub 2023 May 2.
J Comput Aided Mol Des. 2023.
PMID: 37129848
Free PMC article.
Synthesis and Testing of Analogs of the Tuberculosis Drug Candidate SQ109 against Bacteria and Protozoa: Identification of Lead Compounds against Mycobacterium abscessus and Malaria Parasites.
Stampolaki M, Malwal SR, Alvarez-Cabrera N, Gao Z, Moniruzzaman M, Babii SO, Naziris N, Rey-Cibati A, Valladares-Delgado M, Turcu AL, Baek KH, Phan TN, Lee H, Alcaraz M, Watson S, van der Watt M, Coertzen D, Efstathiou N, Chountoulesi M, Shoen CM, Papanastasiou IP, Brea J, Cynamon MH, Birkholtz LM, Kremer L, No JH, Vázquez S, Benaim G, Demetzos C, Zgurskaya HI, Dick T, Oldfield E, Kolocouris AD.
Stampolaki M, et al.
ACS Infect Dis. 2023 Feb 10;9(2):342-364. doi: 10.1021/acsinfecdis.2c00537. Epub 2023 Jan 27.
ACS Infect Dis. 2023.
PMID: 36706233
Free PMC article.
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Synthesis and in vitro proof-of-concept studies on bispecific iron oxide magnetic nanoparticles targeting PSMA and GRP receptors for PET/MR imaging of prostate cancer.
Liolios C, Koutsikou TS, Salvanou EA, Kapiris F, Machairas E, Stampolaki M, Kolocouris A, Efthimiadou EΚ, Bouziotis P.
Liolios C, et al. Among authors: stampolaki m.
Int J Pharm. 2022 Aug 25;624:122008. doi: 10.1016/j.ijpharm.2022.122008. Epub 2022 Jul 9.
Int J Pharm. 2022.
PMID: 35820513
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