[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 …

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 …

[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 …

[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 …

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 …

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 …

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 …

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 …

How an inhibitor bound to subunit interface alters triosephosphate isomerase dynamics

Z Kurkcuoglu, D Findik, ED Akten, P Doruker - Biophysical Journal, 2015 - cell.com
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 …

NMR characterization of weak interactions between RhoGDI2 and fragment screening hits

J Liu, J Gao, F Li, R Ma, Q Wei, A Wang, J Wu… - … et Biophysica Acta (BBA …, 2017 - Elsevier
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 …