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ArticleMedicinal chemistry (Shariqah (United Arab Emirates))2025

A Computational Approach Using α-Carbonic Anhydrase to Find Anti-

Eyra Ortiz-Perez, Domingo Mendez-Alvarez, Alfredo Juarez-Saldivar, Adriana Moreno-Rodríguez, Mariana de Alba Alvarado, Alonzo Gonzalez-Gonzalez, Karina Vazquez, Ana Veronica Martinez-Vazquez, Benjamin Nogueda-Torres, Edgar E Lara-Ramírez and 2 more

Abstract read
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In one paragraph

Article in Medicinal chemistry (Shariqah (United Arab Emirates)), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

12 authors.

Eyra Ortiz-PerezLaboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.
Domingo Mendez-AlvarezLaboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.
Alfredo Juarez-SaldivarUnidad Académica Multidisciplinaria Reynosa-Aztlán, Universidad Autónoma de Tamaulipas, Reynosa 88710, México.
Adriana Moreno-RodríguezLaboratorio de Estudios Epidemiológicos, Clínicos, Diseños Experimentales e Investigación, Facultad de Ciencias Químicas, Universidad Autónoma "Benito Juárez" de Oaxaca, Oaxaca, México.
Mariana de Alba AlvaradoFacultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, México.
Alonzo Gonzalez-GonzalezLaboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.
Karina VazquezFacultad de Medicina Veterinaria y Zootecnia, Universidad Autónoma de Nuevo León, Gral. Escobedo 66050, México.
Ana Veronica Martinez-VazquezLaboratorio de Biotecnología Experimental, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.
Benjamin Nogueda-TorresDepartamento de Parasitología, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Ciudad de México 11340, Mexico.
Edgar E Lara-RamírezLaboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.
Alma D Paz-GonzalezLaboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.
Gildardo RiveraLaboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Reynosa 88710, México.

Funding

Secretaría de Investigación y Posgrado Instituto Politécnico Nacional 20240465
6 · The paper itself

Abstract

backgroundChagas disease has an ineffective drug treatment despite efforts made over the last four decades. The carbonic anhydrase of

objectiveThe aim in this study was identify potential α-

methodsA maximum common substructure (MCS) and molecular docking were used to carried out a ligand- and structure-based virtual screening of ZINC20 and MolPort databases. The compounds selected were evaluated in an

resultsFive sulfonamide derivatives (C7, C9, C14, C19, and C21) had the highest docking scores (-6.94 to -8.31 kcal/mol). They showed key residue interactions on the active site of the α-

conclusionCompounds C7, C9, and C21 showed trypanocidal activity; therefore, these results encourage the development of new trypanocidal agents based in their scaffold.

Indexed as

Carbonic Anhydrase InhibitorsCarbonic AnhydrasesSulfonamidesTrypanocidal AgentsTrypanosoma cruziAnimalsMiceMolecular Docking SimulationMolecular StructureParasitic Sensitivity TestsStructure-Activity RelationshipCarbonic Anhydrase InhibitorsCarbonic AnhydrasesSulfonamidesTrypanocidal Agentscarbonic anhydrasechagas diseasemolecular dockingsulfonamidesTrypanosoma cruzivirtual screening.

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.