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Article ; Online: The Use of AlphaFold for

Ros-Lucas, Albert / Martinez-Peinado, Nieves / Bastida, Jaume / Gascón, Joaquim / Alonso-Padilla, Julio

Frontiers in cellular and infection microbiology

2022 Volume 12, Page(s) 944748

Abstract: Chagas disease is a devastating neglected disease caused by the ... ...

Abstract	Chagas disease is a devastating neglected disease caused by the parasite
MeSH term(s)	Animals ; Chagas Disease/drug therapy ; Chagas Disease/parasitology ; Humans ; Parasites ; Pharmaceutical Preparations ; Trypanocidal Agents/chemistry ; Trypanocidal Agents/pharmacology ; Trypanosoma cruzi
Chemical Substances	Pharmaceutical Preparations ; Trypanocidal Agents
Language	English
Publishing date	2022-07-14
Publishing country	Switzerland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2619676-1
ISSN	2235-2988 ; 2235-2988
ISSN (online)	2235-2988
ISSN	2235-2988
DOI	10.3389/fcimb.2022.944748
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Article ; Online: Candimine from Hippeastrum escoipense (Amaryllidaceae): Anti-Trypanosoma cruzi activity and synergistic effect with benznidazole.

Ortiz, Javier E / Piñeiro, Mauricio / Martinez-Peinado, Nieves / Barrera, Patricia / Sosa, Miguel / Bastida, Jaume / Alonso-Padilla, Julio / Feresin, Gabriela E

Phytomedicine : international journal of phytotherapy and phytopharmacology

2023 Volume 114, Page(s) 154788

Abstract: Background: Chagas disease (CD), caused by Trypanosoma cruzi, represents a health threat to around 20 million people worldwide. Side effects of benznidazole (Bzn) cause 15-20% of patients to discontinue their treatment. Evidence has increased in favor ... ...

Abstract	Background: Chagas disease (CD), caused by Trypanosoma cruzi, represents a health threat to around 20 million people worldwide. Side effects of benznidazole (Bzn) cause 15-20% of patients to discontinue their treatment. Evidence has increased in favor of the use of drug combinations to improve the efficacy and tolerance of the treatment. Natural products are well known to provide structures that could serve as new drugs or scaffolds for CD treatment. Spp of the Amaryllidoideae sub family of Amaryllidaceae family are known by their bioactives alkaloids, which have been reported by their antiparasitic activities. Purpose: To evaluate the anti-T. cruzi activity of the isolated alkaloid candimine (Cnd) from Hippeastrum escoipense Slanis & Huaylla; and to assess the combination effect between Cnd and Bzn against different life stages of T. cruzi parasites. Methods: The chemical profile of H. escoipense alkaloids extract (AE-H. escoipense), including quantitation of Cnd was performed through GC/MS and UPLC-MS/MS techniques. Subsequently, Cnd was isolated using Shephadex LH-20. Then, the AE-H. escoipense and Cnd were tested against T. cruzi, (epimastigotes, trypomastigotes, and amastigotes) by in vitro proliferation and viability assays. The cytotoxicity was evaluated against Vero and HepG2 mammalian cells. The ultrastructural analysis was perform by transmission electron microscopy (TEM) and mitochondrial activity was carried out by MTT assay. Drug combination assay between Cnd and Bzn was evaluated using the Chou-Talalay method. Results: The AE-H. escoipense and Cnd showed high and specific anti-T. cruzi activity, comparable to Bzn. Cnd induces ultrastructural changes in T. cruzi, such as vacuolization, membrane blebs, and increased mitochondrial activity. Regarding the interaction between Cnd and Bzn, it generates synergism in the combinations of 0.25×IC Conclusion: The synergism between Cnd and Bzn indicates that the combination at the concentration of 4×IC
MeSH term(s)	Animals ; Humans ; Trypanosoma cruzi ; Amaryllidaceae ; Chromatography, Liquid ; Tandem Mass Spectrometry ; Chagas Disease/drug therapy ; Alkaloids/pharmacology ; Trypanocidal Agents/pharmacology ; Mammals
Chemical Substances	benzonidazole (YC42NRJ1ZD) ; candimine ; Alkaloids ; Trypanocidal Agents
Language	English
Publishing date	2023-03-29
Publishing country	Germany
Document type	Journal Article
ZDB-ID	1205240-1
ISSN	1618-095X ; 0944-7113
ISSN (online)	1618-095X
ISSN	0944-7113
DOI	10.1016/j.phymed.2023.154788
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Article ; Online: Candimine from Hippeastrum escoipense (Amaryllidaceae): Anti-Trypanosoma cruzi activity and synergistic effect with benznidazole

Ortiz, Javier E. / Piñeiro, Mauricio / Martinez-Peinado, Nieves / Barrera, Patricia / Sosa, Miguel / Bastida, Jaume / Alonso-Padilla, Julio / Feresin, Gabriela E.

Phytomedicine. 2023 June, v. 114 p.154788-

2023

Abstract: Chagas disease (CD), caused by Trypanosoma cruzi, represents a health threat to around 20 million people worldwide. Side effects of benznidazole (Bzn) cause 15–20% of patients to discontinue their treatment. Evidence has increased in favor of the use of ... ...

Abstract	Chagas disease (CD), caused by Trypanosoma cruzi, represents a health threat to around 20 million people worldwide. Side effects of benznidazole (Bzn) cause 15–20% of patients to discontinue their treatment. Evidence has increased in favor of the use of drug combinations to improve the efficacy and tolerance of the treatment. Natural products are well known to provide structures that could serve as new drugs or scaffolds for CD treatment. Spp of the Amaryllidoideae sub family of Amaryllidaceae family are known by their bioactives alkaloids, which have been reported by their antiparasitic activities. To evaluate the anti-T. cruzi activity of the isolated alkaloid candimine (Cnd) from Hippeastrum escoipense Slanis & Huaylla; and to assess the combination effect between Cnd and Bzn against different life stages of T. cruzi parasites. The chemical profile of H. escoipense alkaloids extract (AE-H. escoipense), including quantitation of Cnd was performed through GC/MS and UPLC-MS/MS techniques. Subsequently, Cnd was isolated using Shephadex LH-20. Then, the AE-H. escoipense and Cnd were tested against T. cruzi, (epimastigotes, trypomastigotes, and amastigotes) by in vitro proliferation and viability assays. The cytotoxicity was evaluated against Vero and HepG2 mammalian cells. The ultrastructural analysis was perform by transmission electron microscopy (TEM) and mitochondrial activity was carried out by MTT assay. Drug combination assay between Cnd and Bzn was evaluated using the Chou-Talalay method. The AE-H. escoipense and Cnd showed high and specific anti-T. cruzi activity, comparable to Bzn. Cnd induces ultrastructural changes in T. cruzi, such as vacuolization, membrane blebs, and increased mitochondrial activity. Regarding the interaction between Cnd and Bzn, it generates synergism in the combinations of 0.25×IC₅₀ in epimastigotes, 2×IC₅₀ in trypomastigotes+amastigotes, and 0.25, 2, and 4×IC₅₀ in amastigotes. The synergism between Cnd and Bzn indicates that the combination at the concentration of 4×IC₅₀ could be useful as an effective new therapy against CD in the chronic stage. Thus, Cnd isolated from the leaves of H. escoipense emerges as potential candidate for the development of a new drug for the treatment of CD.
Keywords	Chagas disease ; Hippeastrum ; Trypanosoma cruzi ; alkaloids ; amastigotes ; benznidazole ; bioactive compounds ; cytotoxicity ; epimastigotes ; mammals ; mitochondria ; synergism ; therapeutics ; toxicity testing ; transmission electron microscopy ; trypomastigotes ; viability ; Amaryllidaceae alkaloids ; Antiparasitic assays ; Neglected disease ; Candimine ; AA ; ACN ; AE ; Bzn ; CD ; CI ; Cnd ; DRI ; DTU ; Fa ; FBS ; IC50 ; InC ; MOI ; MTT ; n°p ; Nfx ; NMR ; PBS ; RI ; ROS ; SI ; SIR ; TC50 ; TEM
Language	English
Dates of publication	2023-06
Publishing place	Elsevier GmbH
Document type	Article ; Online
ZDB-ID	1205240-1
ISSN	1618-095X ; 0944-7113
ISSN (online)	1618-095X
ISSN	0944-7113
DOI	10.1016/j.phymed.2023.154788
Database	NAL-Catalogue (AGRICOLA)

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Article: An Overview of Current Uses and Future Opportunities for Computer-Assisted Design of Vaccines for Neglected Tropical Diseases.

Robleda-Castillo, Raquel / Ros-Lucas, Albert / Martinez-Peinado, Nieves / Alonso-Padilla, Julio

Advances and applications in bioinformatics and chemistry : AABC

2021 Volume 14, Page(s) 25–47

Abstract: Neglected tropical diseases are infectious diseases that impose high morbidity and mortality rates over 1.5 billion people worldwide. Originally restricted to tropical and subtropical regions, changing climate conditions have increased their potential to ...

Abstract	Neglected tropical diseases are infectious diseases that impose high morbidity and mortality rates over 1.5 billion people worldwide. Originally restricted to tropical and subtropical regions, changing climate conditions have increased their potential to emerge elsewhere. Control of their impact suffers from shortages like poor epidemiological surveillance or irregular drug distribution, and some NTDs still lack of appropriate diagnostics and/or efficient therapeutics. For these, availability of vaccines to prevent new infections, or the worsening of those already established, would mean a major breakthrough. However, only dengue and rabies count with approved vaccines at present. Herein, we review the state-of-the-art of vaccination strategies for NTDs, setting the focus on third generation vaccines and the concept of reverse vaccinology. Its capability to address pathogens´ biological complexity, likely contributing to save developmental costs is discussed. The use of computational tools is a fundamental aid to analyze increasingly large datasets aimed at designing vaccine candidates with the highest, possibly, opportunities to succeed. Ultimately, we identify and analyze those studies that took an in silico approach to find vaccine candidates, and experimentally assessed their immunogenicity and/or protection capabilities.
Language	English
Publishing date	2021-02-15
Publishing country	New Zealand
Document type	Journal Article ; Review
ISSN	1178-6949
ISSN	1178-6949
DOI	10.2147/AABC.S258759
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Article: Compounds targeting GPI biosynthesis or N-glycosylation are active against Plasmodium falciparum

Fenollar, Àngel / Ros-Lucas, Albert / Pía Alberione, María / Martínez-Peinado, Nieves / Ramírez, Miriam / Ángel Rosales-Motos, Miguel / Y. Lee, Ling / Alonso-Padilla, Julio / Izquierdo, Luis

Computational and Structural Biotechnology Journal. 2022, v. 20

2022

Abstract: The emergence of resistance to first-line antimalarials, including artemisinin, the last effective malaria therapy in some regions, stresses the urgent need to develop new effective treatments against this disease. The identification and validation of ... ...

Abstract	The emergence of resistance to first-line antimalarials, including artemisinin, the last effective malaria therapy in some regions, stresses the urgent need to develop new effective treatments against this disease. The identification and validation of metabolic pathways that could be targeted for drug development may strongly contribute to accelerate this process. In this study, we use fully characterized specific inhibitors targeting glycan biosynthetic pathways as research tools to analyze their effects on the growth of the malaria parasite Plasmodium falciparum and to validate these metabolic routes as feasible chemotherapeutic targets. Through docking simulations using models predicted by AlphaFold, we also shed new light into the modes of action of some of these inhibitors. Molecules inhibiting N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase (GlcNAc-PI de-N-acetylase, PIGL/GPI12) or the inositol acyltransferase (GWT1), central for glycosylphosphatidylinositol (GPI) biosynthesis, halt the growth of intraerythrocytic asexual parasites during the trophozoite stages of the intraerythrocytic developmental cycle (IDC). Remarkably, the nucleoside antibiotic tunicamycin, which targets UDP-N-acetylglucosamine:dolichyl-phosphate N-acetylglucosaminephosphotransferase (ALG7) and N-glycosylation in other organisms, induces a delayed-death effect and inhibits parasite growth during the second IDC after treatment. Our data indicate that tunicamycin induces a specific inhibitory effect, hinting to a more substantial role of the N-glycosylation pathway in P. falciparum intraerythrocytic asexual stages than previously thought. To sum up, our results place GPI biosynthesis and N-glycosylation pathways as metabolic routes with potential to yield much-needed therapeutic targets against the parasite.
Keywords	Plasmodium falciparum ; artemisinin ; biosynthesis ; biotechnology ; drug development ; drug therapy ; glycosylation ; inositols ; malaria ; parasites ; tunicamycin
Language	English
Size	p. 850-863.
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	2694435-2
ISSN	2001-0370
ISSN	2001-0370
DOI	10.1016/j.csbj.2022.01.029
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Article ; Online: State-of-the-Art in the Drug Discovery Pathway for Chagas Disease: A Framework for Drug Development and Target Validation.

Gabaldón-Figueira, Juan Carlos / Martinez-Peinado, Nieves / Escabia, Elisa / Ros-Lucas, Albert / Chatelain, Eric / Scandale, Ivan / Gascon, Joaquim / Pinazo, María-Jesús / Alonso-Padilla, Julio

Research and reports in tropical medicine

2023 Volume 14, Page(s) 1–19

Abstract: Chagas disease is the most important protozoan infection in the Americas, and constitutes a significant public health concern throughout the world. Development of new medications against its etiologic agent, ...

Abstract	Chagas disease is the most important protozoan infection in the Americas, and constitutes a significant public health concern throughout the world. Development of new medications against its etiologic agent,
Language	English
Publishing date	2023-06-14
Publishing country	New Zealand
Document type	Journal Article ; Review
ZDB-ID	2578572-2
ISSN	1179-7282 ; 1179-7282
ISSN (online)	1179-7282
ISSN	1179-7282
DOI	10.2147/RRTM.S415273
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Article: Development and Application of an Assay to Evaluate the Anti-Parasitic Effect of Humoral Responses against

Martinez-Peinado, Nieves / Gabaldon-Figueira, Juan Carlos / Martinez-Añon, Ignacio / Rodríguez-Gordo, Cristian / Robleda-Castillo, Raquel / Pinazo, Maria-Jesus / Bigey, Pascal / Gascon, Joaquim / Alonso-Padilla, Julio

Microorganisms

2023 Volume 11, Issue 2

Abstract: Mounting a balanced and robust humoral immune response is of utmost importance for reducing the infectivity ... ...

Abstract	Mounting a balanced and robust humoral immune response is of utmost importance for reducing the infectivity of
Language	English
Publishing date	2023-01-18
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2720891-6
ISSN	2076-2607
ISSN	2076-2607
DOI	10.3390/microorganisms11020241
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Article ; Online: Practical diagnostic algorithms for Chagas disease: a focus on low resource settings.

Gabaldón-Figueira, Juan Carlos / Skjefte, Malia / Longhi, Silvia / Escabia, Elisa / García, Lady Juliette / Ros-Lucas, Albert / Martínez-Peinado, Nieves / Muñoz-Calderón, Arturo / Gascón, Joaquim / Schijman, Alejandro Gabriel / Alonso-Padilla, Julio

Expert review of anti-infective therapy

2023 Volume 21, Issue 12, Page(s) 1287–1299

Abstract: Introduction: Chagas disease, caused by parasite : Areas covered: This review outlines existing algorithms, and proposes new ones focused on point-of-care testing.: Expert opinion: Integrating point-of-care testing into existing diagnostic ... ...

Abstract	Introduction: Chagas disease, caused by parasite Areas covered: This review outlines existing algorithms, and proposes new ones focused on point-of-care testing. Expert opinion: Integrating point-of-care testing into existing diagnostic algorithms in certain endemic areas will increase access to timely diagnosis and treatment. However, additional research is needed to validate the use of these techniques across a wider geography, and to better understand the cost-effectiveness of their large-scale implementation.
MeSH term(s)	Humans ; Chagas Disease/diagnosis ; Chagas Disease/epidemiology ; Trypanosoma cruzi ; Point-of-Care Testing ; Rapid Diagnostic Tests ; Algorithms
Language	English
Publishing date	2023-11-24
Publishing country	England
Document type	Journal Article ; Review ; Research Support, Non-U.S. Gov't
ZDB-ID	2181279-2
ISSN	1744-8336 ; 1478-7210
ISSN (online)	1744-8336
ISSN	1478-7210
DOI	10.1080/14787210.2023.2279110
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Article ; Online: Amaryllidaceae plants: a potential natural resource for the treatment of Chagas disease.

Martínez-Peinado, Nieves / Cortes-Serra, Nuria / Tallini, Luciana R / Pinazo, Maria-Jesus / Gascon, Joaquim / Bastida, Jaume / Alonso-Padilla, Julio

Parasites & vectors

2021 Volume 14, Issue 1, Page(s) 337

Abstract: Background: Chagas disease is a neglected zoonosis caused by the parasite Trypanosoma cruzi. It affects over six million people, mostly in Latin America. Drugs available to treat T. cruzi infection have associated toxicity and questionable efficacy at ... ...

Abstract	Background: Chagas disease is a neglected zoonosis caused by the parasite Trypanosoma cruzi. It affects over six million people, mostly in Latin America. Drugs available to treat T. cruzi infection have associated toxicity and questionable efficacy at the chronic stage. Hence, the discovery of more effective and safer drugs is an unmet medical need. For this, natural products represent a pool of unique chemical diversity that can serve as excellent templates for the synthesis of active molecules. Methods: A collection of 79 extracts of Amaryllidaceae plants were screened against T. cruzi. Active extracts against the parasite were progressed through two cell toxicity assays based on Vero and HepG2 cells to determine their selectivity profile and discard those toxic to host cells. Anti-T. cruzi-specific extracts were further qualified by an anti-amastigote stage assay. Results: Two extracts, respectively from Crinum erubescens and Rhodophiala andicola, were identified as highly active and specific against T. cruzi and its mammalian replicative form. Conclusions: The results retrieved in this study encourage further exploration of the chemical content of these extracts in search of new anti-T. cruzi drug development starting points.
MeSH term(s)	Amaryllidaceae/chemistry ; Chagas Disease/drug therapy ; Chagas Disease/parasitology ; Drug Evaluation, Preclinical ; Humans ; Plant Extracts/pharmacology ; Trypanocidal Agents/chemistry ; Trypanocidal Agents/pharmacology ; Trypanosoma cruzi/drug effects ; Trypanosoma cruzi/physiology
Chemical Substances	Plant Extracts ; Trypanocidal Agents
Language	English
Publishing date	2021-06-26
Publishing country	England
Document type	Journal Article
ZDB-ID	2409480-8
ISSN	1756-3305 ; 1756-3305
ISSN (online)	1756-3305
ISSN	1756-3305
DOI	10.1186/s13071-021-04837-9
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Article: Identification of

Martinez-Peinado, Nieves / Cortes-Serra, Nuria / Sherman, Julian / Rodriguez, Ana / Bustamante, Juan M / Gascon, Joaquim / Pinazo, Maria-Jesus / Alonso-Padilla, Julio

Microorganisms

2021 Volume 9, Issue 2

Abstract: Chagas disease, caused by the ... ...

Abstract	Chagas disease, caused by the parasite
Language	English
Publishing date	2021-02-16
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2720891-6
ISSN	2076-2607
ISSN	2076-2607
DOI	10.3390/microorganisms9020406
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