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Roles of virtual screening and molecular dynamics simulations in discovering and understanding antimalarial drugs
Malaria continues to be a global health threat, with approximately 247 million cases
worldwide. Despite therapeutic interventions being available, patient compliance is a …
worldwide. Despite therapeutic interventions being available, patient compliance is a …
Support vector machine-based model for toxicity of organic compounds against fish
X Yu - Regulatory Toxicology and Pharmacology, 2021 - Elsevier
Predicting the toxicity of chemicals to various fish species through chemometric approach is
crucial for ecotoxicological assessment of existing as well as not yet synthesized chemicals …
crucial for ecotoxicological assessment of existing as well as not yet synthesized chemicals …
Reduced bacterial resistance antibiotics with improved microbiota tolerance in human intestinal: Molecular design and mechanism analysis
M Du, Z Ren, Q Li, Q Pu, X Li, Y Qiu, Y Li - Journal of Hazardous Materials, 2023 - Elsevier
Antibiotic selectivity and bacterial resistance are critical global public health issues. We
constructed a multi-class machine learning model to study antibiotic effects on human …
constructed a multi-class machine learning model to study antibiotic effects on human …
[HTML][HTML] In silico antiprotozoal evaluation of 1, 4-naphthoquinone derivatives against chagas and leishmaniasis diseases using qsar, molecular docking, and ADME …
LS Prieto Cárdenas, KA Arias Soler… - Pharmaceuticals, 2022 - mdpi.com
Chagas and leishmaniasis are two neglected diseases considered as public health
problems worldwide, for which there is no effective, low-cost, and low-toxicity treatment for …
problems worldwide, for which there is no effective, low-cost, and low-toxicity treatment for …
Application of Machine Learning in the Development of Fourth Degree Quantitative Structure–Activity Relationship Model for Triclosan Analogs Tested against …
R Marques de Souza Guimarães, IHP Vieira… - ACS …, 2024 - ACS Publications
Despite new therapies against malaria, this disease remains one of the main causes of
death affecting humanity. The phenomenon of resistance has caused concern as the drugs …
death affecting humanity. The phenomenon of resistance has caused concern as the drugs …
In-silico Design of Aryl and Aralkyl Amine-Based Triazolopyrimidine Derivatives with Enhanced Activity Against Resistant Plasmodium falciparum
A blend of genetic algorithm with multiple linear regression (GA-MLR) method was utilized in
generating a quantitative structure–activity relationship (QSAR) model on the antimalarial …
generating a quantitative structure–activity relationship (QSAR) model on the antimalarial …
Molecular modeling and design of some β-amino alcohol grafted 1, 4, 5-trisubstituted 1, 2, 3-triazoles derivatives against chloroquine sensitive, 3D7 strain of …
Resistance nature of Plasmodium falciparum (P. falciparum) to the most effective
antimalarial drug, Artemisinin, intimidate the global goal of total eradication of malarial. In an …
antimalarial drug, Artemisinin, intimidate the global goal of total eradication of malarial. In an …
[HTML][HTML] Genetic function algorithm (GFA) based QSAR, molecular design, and ADMET screening to assess the antimalarial potential of Amodiaquine derivatives
The ongoing fight against endemic diseases is complicated by the increasing resistance of
malaria parasites to widely used drugs. As a result, the search for more effective antimalarial …
malaria parasites to widely used drugs. As a result, the search for more effective antimalarial …
QSAR ANALYSIS USING SEMI-EMPIRICAL AM1 METHOD, MOLECULAR DOCKING, AND ADMET STUDIES OF CHALCONE DERIVATIVES AS ANTIMALARIAL …
MAS Kurniawan, MJ Baari - Jurnal Kimia Riset, 2023 - search.ebscohost.com
Malaria is a serious caused by protozoan parasites such as Plasmodium groups and has
fatal consequences for human health. The increase in the resistance of the Plasmodium …
fatal consequences for human health. The increase in the resistance of the Plasmodium …
Predicción del valor de concentración letal media, LC50 y del nivel de toxicidad de compuestos orgánicos para Daphnia Magna usando algoritmos de aprendizaje …
VP Pinos Vélez - 2021 - openaccess.uoc.edu
Las pruebas de toxicidad aguda para determinar la concentración letal media (CL50)
aplicadas en Daphnia Magna son ampliamente utilizadas para determinar el nivel de …
aplicadas en Daphnia Magna son ampliamente utilizadas para determinar el nivel de …