KT Scientific Publications

@article{Jiménez-García2026b,

title = {MartiniSurf: Automated Simulations of Surface-Immobilized Biomolecular Systems with Martini},

author = {Juan Carlos Jiménez-García and Fernando López-Gallego and Xabier López and David De Sancho},

doi = {10.1021/acs.jcim.6c00953},

issn = {1549-960X},

year  = {2026},

date = {2026-06-16},

urldate = {2026-06-16},

journal = {J. Chem. Inf. Model.},

publisher = {American Chemical Society (ACS)},

keywords = {Bio-KT, IT2067},

pubstate = {published},

tppubtype = {article}

}

@article{Rodriguez2026,

title = {Synthesis, Biological Evaluation, and Theoretical Study of Indenoquinolinylphosphine Oxide Derivatives as Topoisomerase 1 Inhibitors and Antiproliferative Agents},

author = {Alba Rodriguez and Elena Formoso and Birgitta R. Knudsen and Cinzia Tesauro and Maria Fuertes and Concepcion Alonso},

doi = {10.1002/cmdc.202500751},

issn = {1860-7187},

year  = {2026},

date = {2026-03-13},

urldate = {2026-03-13},

journal = {ChemMedChem},

volume = {21},

number = {5},

publisher = {Wiley},

abstract = {<jats:p>

                    The topoisomerase 1 (TOP1) enzymatic inhibition and antiproliferative activity of phosphorated indenoquinoline derivatives were investigated. First, the preparation of new hybrid quinoline and tetrahydroquinoline structures with a phosphine oxide group was performed by a two‐step Povarov type [4 + 2]‐cycloaddition reaction between the corresponding phosphorated aldimines with indene in the presence of BF

                    <jats:sub>3</jats:sub>

                    ·Et

                    <jats:sub>2</jats:sub>

                    O, affording corresponding 1,2,3,4‐tetrahydroindeno[2,1‐c]quinolinylphosphine oxides

                    <jats:bold>9</jats:bold>

                    , 7H‐indeno[2,1‐c]quinolinylphosphine oxides

                    <jats:bold>10</jats:bold>

                    and 7‐oxoindeno[2,1‐c]quinolinylphosphine oxides

                    <jats:bold>11</jats:bold>

                    with good yields. The synthesized derivatives were evaluated as TOP1 inhibitors, showing that some derivatives (

                    <jats:bold>9f</jats:bold>

                    ,

                    <jats:bold>9g</jats:bold>

                    ,

                    <jats:bold>9l</jats:bold>

                    , and

                    <jats:bold>11m</jats:bold>

                    ) show better or similar activity to the reference compound (CPT) at 1 min. The synthesized derivatives were screened for their antiproliferative activity in different cancerous cell lines, and all of them present a higher selective cytotoxicity in the human lung adenocarcinoma cell line (A549), than in the others. In contrast, almost none of the synthesized phosphorated compounds exhibited antiproliferative activity toward nonmalignant lung fibroblasts MCR5. These results suggest that phosphine oxide‐substituted quinoline derivatives have important properties as TOP1 inhibitors and show an interesting cytotoxicity against six different cancerous cell lines.

                  </jats:p>},

keywords = {Bio-KT, IT2067},

pubstate = {published},

tppubtype = {article}

}

@article{Luna2026b,

title = {Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics},

author = {Emelin Luna and Ion Olazabal and Tobias de Somer and Pieter Nachtergaele and Xabier Lopez and Marta Ximenis and Steven de Meester and Haritz Sardon},

doi = {10.1016/j.resconrec.2025.108686},

issn = {0921-3449},

year  = {2026},

date = {2026-02-23},

journal = {Resources, Conservation and Recycling},

volume = {226},

publisher = {Elsevier BV},

keywords = {Bio-KT, IT2067},

pubstate = {published},

tppubtype = {article}

}

@article{Jiménez-García2026,

title = {Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations},

author = {Juan Carlos Jiménez-García and Nicoll Zeballos and Fernando López-Gallego and Xabier López and David De Sancho},

doi = {10.1021/acs.jpclett.5c03753},

issn = {1948-7185},

year  = {2026},

date = {2026-02-19},

urldate = {2026-02-19},

journal = {J. Phys. Chem. Lett.},

volume = {17},

number = {7},

pages = {2094--2102},

publisher = {American Chemical Society (ACS)},

keywords = {Bio-KT, IT2067},

pubstate = {published},

tppubtype = {article}

}