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[HTML][HTML] Examination of multiple Trypanosoma cruzi targets in a new drug discovery approach for Chagas disease
I Beltran-Hortelano, V Alcolea, M Font… - Bioorganic & medicinal …, 2022 - Elsevier
Chagas disease (CD) is a centenarian neglected parasitosis caused by the protozoan
Trypanosoma cruzi (T. cruzi). Despite the continuous efforts of many organizations and …
Trypanosoma cruzi (T. cruzi). Despite the continuous efforts of many organizations and …
Trypanothione reductase and superoxide dismutase as current drug targets for Trypanosoma cruzi: an overview of compounds with activity against Chagas disease
I Beltran-Hortelano, S Perez-Silanes… - Current Medicinal …, 2017 - benthamdirect.com
It has been over a century since Carlos Chagas discovered the Trypanosoma cruzi (T. cruzi)
as the causative agent of Chagas disease (CD), a neglected tropical disease with several …
as the causative agent of Chagas disease (CD), a neglected tropical disease with several …
[HTML][HTML] Ligand-based virtual screening and molecular docking of benzimidazoles as potential inhibitors of triosephosphate isomerase identified new trypanocidal …
LK Vázquez-Jiménez, A Juárez-Saldivar… - International Journal of …, 2022 - mdpi.com
Trypanosoma cruzi (T. cruzi) is a parasite that affects humans and other mammals. T. cruzi
depends on glycolysis as a source of adenosine triphosphate (ATP) supply, and …
depends on glycolysis as a source of adenosine triphosphate (ATP) supply, and …
[HTML][HTML] Triose Phosphate Isomerase Structure-Based Virtual Screening and In Vitro Biological Activity of Natural Products as Leishmania mexicana Inhibitors
LD González-Morales, A Moreno-Rodríguez… - Pharmaceutics, 2023 - mdpi.com
Cutaneous leishmaniasis (CL) is a public health problem affecting more than 98 countries
worldwide. No vaccine is available to prevent the disease, and available medical treatments …
worldwide. No vaccine is available to prevent the disease, and available medical treatments …
Recent advances in the development of triose phosphate isomerase inhibitors as antiprotozoal agents
LK Vázquez-Jiménez, A Moreno-Herrera… - Current Medicinal …, 2022 - benthamdirect.com
Background: Parasitic diseases caused by protozoa, such as Chagas disease,
leishmaniasis, malaria, African trypanosomiasis, amoebiasis, trichomoniasis, and giardiasis …
leishmaniasis, malaria, African trypanosomiasis, amoebiasis, trichomoniasis, and giardiasis …
Virtual Screening of Benzimidazole Derivatives as Potential Triose Phosphate Isomerase Inhibitors with Biological Activity against Leishmania mexicana
LK Vázquez-Jiménez, A Juárez-Saldivar… - Pharmaceuticals, 2023 - mdpi.com
Leishmania mexicana (L. mexicana) is a causal agent of cutaneous leishmaniasis (CL), a
“Neglected disease”, for which the search for new drugs is a priority. Benzimidazole is a …
“Neglected disease”, for which the search for new drugs is a priority. Benzimidazole is a …
Identification of alternative allosteric sites in glycolytic enzymes for potential use as species-specific drug targets
M Ayyildiz, S Celiker, F Ozhelvaci… - Frontiers in Molecular …, 2020 - frontiersin.org
Three allosteric glycolytic enzymes, phosphofructokinase, glyceraldehyde-3 phosphate
dehydrogenase and pyruvate kinase, associated with bacterial, parasitic and human …
dehydrogenase and pyruvate kinase, associated with bacterial, parasitic and human …
Ligand docking to intermediate and close-to-bound conformers generated by an elastic network model based algorithm for highly flexible proteins
Z Kurkcuoglu, P Doruker - PloS one, 2016 - journals.plos.org
Incorporating receptor flexibility in small ligand-protein docking still poses a challenge for
proteins undergoing large conformational changes. In the absence of bound structures …
proteins undergoing large conformational changes. In the absence of bound structures …
How an inhibitor bound to subunit interface alters triosephosphate isomerase dynamics
The tunnel region at triosephosphate isomerase (TIM)'s dimer interface, distant from its
catalytic site, is a target site for certain benzothiazole derivatives that inhibit TIM's catalytic …
catalytic site, is a target site for certain benzothiazole derivatives that inhibit TIM's catalytic …
NMR characterization of weak interactions between RhoGDI2 and fragment screening hits
Background The delineation of intrinsically weak interactions between novel targets and
fragment screening hits has long limited the pace of hit-to-lead evolution. Rho guanine …
fragment screening hits has long limited the pace of hit-to-lead evolution. Rho guanine …