Developing Dynamic Structure-Based Pharmacophore and ML-Trained QSAR Models for the Discovery of Novel Resistance-Free RET Tyrosine Kinase Inhibitors Through Extensive MD Trajectories and NRI Analysis.

Autor: Sayyah E; Computational Biology and Molecular Simulations Lab, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey.; Computational Drug Design Center (HITMER), Bahçeşehir University, Istanbul, Turkey., Oktay L; Computational Biology and Molecular Simulations Lab, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey.; Computational Drug Design Center (HITMER), Bahçeşehir University, Istanbul, Turkey., Tunc H; Department of Biostatistics and Medical Informatics, School of Medicine, Bahçeşehir University, Istanbul, Turkey., Durdagi S; Computational Biology and Molecular Simulations Lab, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey.; Computational Drug Design Center (HITMER), Bahçeşehir University, Istanbul, Turkey.; Molecular Therapy Lab, Department of Pharmaceutical Chemistry, School of Pharmacy, Bahçeşehir University, Istanbul, Turkey.

Publikováno v: ChemMedChem [ChemMedChem] 2024 Jun 17; Vol. 19 (12), pp. e202300644. Date of Electronic Publication: 2024 May 16.

Dual activity of Minnelide chemosensitize basal/triple negative breast cancer stem cells and reprograms immunosuppressive tumor microenvironment.

Autor: Koksalar Alkan F; Department of Oncology, Karmanos Cancer Institute, Wayne State University School of Medicine, HWCRC 723 4100 John R. Street, Detroit, MI, 48201, USA., Caglayan AB; Department of Oncology, Karmanos Cancer Institute, Wayne State University School of Medicine, HWCRC 723 4100 John R. Street, Detroit, MI, 48201, USA., Alkan HK; Department of Oncology, Karmanos Cancer Institute, Wayne State University School of Medicine, HWCRC 723 4100 John R. Street, Detroit, MI, 48201, USA., Benson E; Georgia Cancer Center, Department of Biochemistry, Augusta University, Augusta, GA, USA., Gunduz YE; Regenerative and Restorative Research Center (REMER), Research Institute for Health Sciences and Technologies (SABITA), Department of Physiology, International School of Medicine, Medipol University, Istanbul, Turkey., Sensoy O; Regenerative and Restorative Research Center (REMER), Research Institute for Health Sciences and Technologies (SABITA), Department of Physiology, International School of Medicine, Medipol University, Istanbul, Turkey., Durdagi S; Department of Pharmaceutical Chemistry, School of Pharmacy, Bahcesehir University, Istanbul, Turkey., Zarbaliyev E; Department of Surgery, Gaziosmanpasa Hospital Istanbul, Istanbul Yeni Yuzyil University, Istanbul, Turkey., Dyson G; Department of Oncology, Karmanos Cancer Institute, Wayne State University School of Medicine, HWCRC 723 4100 John R. Street, Detroit, MI, 48201, USA., Assad H; Department of Oncology, Karmanos Cancer Institute, Wayne State University School of Medicine, HWCRC 723 4100 John R. Street, Detroit, MI, 48201, USA., Shull A; Department of Biology, Presbyterian College, Clinton, SC, USA., Chadli A; Georgia Cancer Center, Department of Biochemistry, Augusta University, Augusta, GA, USA., Shi H; Georgia Cancer Center, Department of Biochemistry, Augusta University, Augusta, GA, USA., Ozturk G; Regenerative and Restorative Research Center (REMER), Research Institute for Health Sciences and Technologies (SABITA), Department of Physiology, International School of Medicine, Medipol University, Istanbul, Turkey., Korkaya H; Department of Oncology, Karmanos Cancer Institute, Wayne State University School of Medicine, HWCRC 723 4100 John R. Street, Detroit, MI, 48201, USA. korkayah@karmanos.org.

Publikováno v: Scientific reports [Sci Rep] 2024 Sep 28; Vol. 14 (1), pp. 22487. Date of Electronic Publication: 2024 Sep 28.

Are Terminal Alkynes Necessary for MAO-A/MAO-B Inhibition? A New Scaffold Is Revealed.

Autor: Mavroeidi P; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece., Zorba LP; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece., Tzouras NV; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece., Neofotistos SP; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece., Georgiou N; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece., Sahin K; Department of Analytical Chemistry, School of Pharmacy, Bahcesehir University, 34349 Istanbul, Turkey., Şentürk M; Department of Biochemistry, Faculty of Pharmacy, Agri Ibrahim Cecen University, 04100 Agri, Turkey., Durdagi S; Molecular Therapy Laboratory, Department of Pharmaceutical Chemistry, School of Pharmacy, Bahcesehir University, 34349 Istanbul, Turkey.; Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, 34349 Istanbul, Turkey.; Laboratory for Innovative Drugs (Lab4IND), Computational Drug Design Center (HİTMER), Bahcesehir University, 34349 Istanbul, Turkey., Vougioukalakis GC; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece., Mavromoustakos T; Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2024 May 24; Vol. 29 (11). Date of Electronic Publication: 2024 May 24.

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Dual activity of Minnelide chemosensitize basal/triple negative breast cancer stem cells and reprograms immunosuppressive tumor microenvironment.

Autor: Korkaya H; Wayne State University School of Medicine., Koksalar Alkan F, Caglayan A, Alkan H, Benson E, Gunduz Y, Sensoy O, Durdagi S, Zarbaliyev E, Dyson G, Assad H, Shull A; Presbyterian College., Chadli A; Augusta University., Shi H; Augusta University., Ozturk G

Publikováno v: Research square [Res Sq] 2024 Feb 22. Date of Electronic Publication: 2024 Feb 22.