An overview of mucosa-associated protozoa: challenges in chemotherapy and future perspectives

HLC Santos, KM Rebello - Frontiers in Cellular and Infection …, 2022 - frontiersin.org
Parasitic infections caused by protozoans that infect the mucosal surfaces are widely
neglected worldwide. Collectively, Entamoeba histolytica, Giardia lamblia, Cryptosporidium …

What place does molecular topology have in today's drug discovery?

R Zanni, M Galvez-Llompart… - Expert Opinion on …, 2020 - Taylor & Francis
Introduction Most methods in molecular and drug design are currently based on
physicochemical descriptors. However, molecular topology, which relies on topological …

Ensemble models based on QuBiLS-MAS features and shallow learning for the prediction of drug-induced liver toxicity: improving deep learning and traditional …

JR Mora, Y Marrero-Ponce… - Chemical Research …, 2020 - ACS Publications
Drug-induced liver injury (DILI) is a key safety issue in the drug discovery pipeline and a
regulatory concern. Thus, many in silico tools have been proposed to improve the …

Cell Membrane-Coated Nanoparticles for Management of Infectious Diseases: A Review

L Sun, M Li, J Yang, J Li - Industrial & Engineering Chemistry …, 2022 - ACS Publications
Infectious diseases have emerged as leading threats to global healthcare, such as bacterial
and viral infections. Major challenges in combating these infectious diseases are the …

Enhancing acute oral toxicity predictions by using consensus modeling and algebraic form-based 0D-to-2D molecular encodes

CR García-Jacas, Y Marrero-Ponce… - Chemical Research …, 2019 - ACS Publications
Quantitative structure–activity relationships (QSAR) are introduced to predict acute oral
toxicity (AOT), by using the QuBiLS-MAS (acronym for quadratic, bilinear and N-Linear maps …

Overproduce and select, or determine optimal molecular descriptor subset via configuration space optimization? Application to the prediction of ecotoxicological …

LA García‐González, Y Marrero‐Ponce… - Molecular …, 2023 - Wiley Online Library
Predicting the likely biological activity (or property) of compounds is a fundamental and
challenging task in the drug discovery process. Current computational methodologies aim to …

Revealing the progression and pathologic features of intraperitoneal infection of Trichomonas vaginalis in mice via parasite α-actinin-based immunological detection

Y **e, C Zhang, P Tang, G Hide, D Lai, ZR Lun - BMC Infectious Diseases, 2024 - Springer
Background Trichomoniasis caused by Trichomonas vaginalis is the most prevalent nonviral
sexually transmitted disease in women and has frequently damaged public health. To better …

Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs)

CR García-Jacas, L Cabrera-Leyva… - Journal of …, 2018 - Springer
Background Several topological (2D) and geometric (3D) molecular descriptors (MDs) are
calculated from local vertex/edge invariants (LOVIs/LOEIs) by performing an aggregation …

[PDF][PDF] " DEEP BLOCK": NEW THERAPEUTIC ALTERNATIVE WITH SCIENTIFIC BASIS FOR THE SUCCESSFUL CONTROL OF “COVID-19” IN ALL PHASES OF THE …

VHC Rodríguez, E Morales, MG Morales, J Martínez… - researchgate.net
From the 1940s to the present, approximately 49% of all medicines approved by the WHO
are composed of active substances of natural origin or direct derivatives thereof. About 75 …

[CITATION][C] Trichomonas vaginalis y tricomoniasis

M Martínez Pérez - 2020