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Treffer 1 - 25 von 1540, Suchdauer: 0.77s

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1
Advancing Trypanosoma cruzi N-myristoyltransferase as a drug target for Chagas disease through in silico discovery and biochemical evaluation

von Diana González García ; Angel Torres ; Alan Talevi ; et al.

Frontiers in Molecular Biosciences, Vol 12 (2026)

Schlagworte: Chagas disease; Trypanosoma cruzi; inhibition; N-myristoyl-transferase; drug targets; Biology (General); QH301-705.5
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2
Crystal Structure of Melphalan Hydrochloride and Its Association with Caffeine Improves Its Antineoplastic Action

von Juliana Pereira da Silva ; Carin Cristina da Silva Batista ; Maria Lúcia Schumacher ; et al.

ACS Omega, Vol 10, Iss 20, Pp 20661-20673 (2025)

Schlagworte: Chemistry; QD1-999
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3
Lipid Nanoparticles with Stiripentol and Cannabidiol Oil: From Rational Optimization to Preclinical Characterization

von Sebastián Scioli-Montoto ; Martin Lobos ; Mauricio Melis ; et al.

Pharmaceutics, Vol 18, Iss 4, p 503 (2026)

Schlagworte: cannabidiol; Dravet syndrome; lipid nanoparticles; nanostructured lipid carriers; oral administration; pediatric formulations; Pharmacy and materia medica; RS1-441
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4
Cannabidiol combined with GABAergic drugs but not with sodium channel blockers prevents the development of drug-resistance seizures in a preclinical model

von Monserrat Fuentes-Mejia ; Maximiliano J. Fallico ; Alan Talevi ; et al.

Frontiers in Pharmacology, Vol 16 (2025)

Schlagworte: cannabidiol; drug-resistance; seizures; GABAergic drugs; sodium channel blockers; Therapeutics. Pharmacology; RM1-950
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5
Application of Data-Centric Supervised Machine Learning to Predict Phenotypic Activity Against Clinically Relevant Stages of Trypanosoma cruzi

von Nicolás Pérez-Mauad ; Lucas N. Alberca ; Alejandra C. Schoijet ; et al.

Pharmaceutics, Vol 17, Iss 12, p 1513 (2025)

Schlagworte: chagas disease; machine learning; QSAR; phenotypic screening; virtual screening; in silico screening; Pharmacy and materia medica; RS1-441
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6
LIDEB's Useful Decoys (LUDe): A freely available decoy-generation tool. Benchmarking and scope

von Lucas N. Alberca ; Denis N. Prada Gori ; Maximiliano J. Fallico ; et al.

Artificial Intelligence in the Life Sciences, Vol 7, Iss , Pp 100129- (2025)

Schlagworte: Decoys; Decoy generation; Retrospective screening; Cheminformatics; Open-source; Science (General); Q1-390
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7
Discovery of Trypanosoma cruzi Carbonic Anhydrase Inhibitors by a Combination of Ligand- and Structure-Based Virtual Screening

von Prada Gori, Denis N. ; Barrionuevo, Emilia M. ; Alberca, Lucas N. ; et al.

Journal of Chemical Information and Modeling. 65(10):4980-4993
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8
Nanostructured lipid carriers containing benznidazole: physicochemical, biopharmaceutical and cellular in vitro studies

von Giuliana Muraca ; María Esperanza Ruiz ; Rocío C. Gambaro ; et al.

Beilstein Journal of Nanotechnology, Vol 14, Iss 1, Pp 804-818 (2023)

Schlagworte: benznidazole; biopharmaceutical study; chagas disease; nanoparticles; nanostructured lipid carriers; physicochemical characterization; trypanosoma cruzi; Technology; Chemical technology; TP1-1185; Science; Physics; QC1-999
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9
Application of machine learning to predict unbound drug bioavailability in the brain

von J. Francisco Morales ; M. Esperanza Ruiz ; Robert E. Stratford ; et al.

Frontiers in Drug Discovery, Vol 4 (2024)

Schlagworte: ADME properties; blood-brain barrier; brain bioavailability; central nervous system; machine learning; pharmacokinetics modeling; Therapeutics. Pharmacology; RM1-950
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10
Clustering of small molecules: new perspectives and their impact on natural product lead discovery

von Alan Talevi ; Carolina L. Bellera

Frontiers in Natural Products, Vol 3 (2024)

Schlagworte: biosynthetic gene cluster (BGC); secondary metabolites; clustering; small molecules; virtual screening; subspace clustering; Chemistry; QD1-999; Botany; QK1-989
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11
Potential biocide roles of violacein

von Ignacio Rivero Berti ; Melisa E. Gantner ; Santiago Rodriguez ; et al.

Frontiers in Nanotechnology, Vol 5 (2023)

Schlagworte: violacein; COVID-19; membrane interaction; antioxidant activity; anti-inflammatory activity; protease inhibition; Chemical technology; TP1-1185
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12
Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro

von Santiago M. Ruatta ; Denis N. Prada Gori ; Martín Fló Díaz ; et al.

Frontiers in Pharmacology, Vol 14 (2023)

Schlagworte: in silico screening; coronavirus; COVID-19; protease; target-based; drug discovery; Therapeutics. Pharmacology; RM1-950
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13
In Silico Screening Identification of Fatty Acids and Fatty Acid Derivatives with Antiseizure Activity: In Vitro and In Vivo Validation

von Emilia Mercedes Barrionuevo ; Estefanía Peralta ; Agustín Manzur De Nardi ; et al.

Pharmaceutics, Vol 16, Iss 8, p 996 (2024)

Schlagworte: epilepsy; fatty acids; free fatty acids; molecular docking; molecular dynamics; NaV1.2; Pharmacy and materia medica; RS1-441
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14
Drug repurposing screening validated by experimental assays identifies two clinical drugs targeting SARS-CoV-2 main protease

von Denis N. Prada Gori ; Santiago Ruatta ; Martín Fló ; et al.

Frontiers in Drug Discovery, Vol 2 (2023)

Schlagworte: atpenin; tinostamustine; in silico screening; cysteine proteases; COVID-19; drug repositioning; Therapeutics. Pharmacology; RM1-950
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15
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps

von Denis N. Prada Gori ; Lucas N. Alberca ; Santiago Rodriguez ; et al.

Artificial Intelligence in the Life Sciences, Vol 2, Iss , Pp 100049- (2022)

Schlagworte: Cheminformatics; Open source; Web applications; Clustering; Decoy generation; Decoys; Science (General); Q1-390
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16
A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity

von Llanos, Manuel A. ; Enrique, Nicolás ; Esteban-López, Vega ; et al.

Journal of Chemical Information and Modeling. 63(22):7083-7096
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17
Antiseizure medication discovery: Recent and future paradigm shifts

von Alan Talevi

Epilepsia Open, Vol 7, Iss S1, Pp S133-S141 (2022)

Schlagworte: disrupting innovation; drug discovery; epilepsy; innovation; low‐affinity ligand; multi‐target; Neurology. Diseases of the nervous system; RC346-429
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18
Novel Phenobarbital-Loaded Nanostructured Lipid Carriers for Epilepsy Treatment: From QbD to In Vivo Evaluation

von Sebastian Scioli-Montoto ; Maria Laura Sbaraglini ; Jose Sebastian Cisneros ; et al.

Frontiers in Chemistry, Vol 10 (2022)

Schlagworte: phenobarbital; drug delivery; PTZ test; solid lipid nanoparticles (SLNs); nanostructured lipid carrier (NLC); epilepsy; Chemistry; QD1-999
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19
Machine Learning in Drug Discovery and Development Part 1: A Primer

von Alan Talevi ; Juan Francisco Morales ; Gregory Hather ; et al.

CPT: Pharmacometrics & Systems Pharmacology, Vol 9, Iss 3, Pp 129-142 (2020)

Schlagworte: Therapeutics. Pharmacology; RM1-950
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20
A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors

von Manuel A. Llanos ; María L. Sbaraglini ; María L. Villalba ; et al.

Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 35, Iss 1, Pp 21-30 (2020)

Schlagworte: chagas; carbonic anhydrase; virtual screening; sulphamides; sodium cyclamate; acesulphame; Therapeutics. Pharmacology; RM1-950
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21
Editorial: Lipid Nanoparticles as a Novel Strategy to Deliver Bioactive Molecules

von Alan Talevi ; Nelson Duran ; Guillermo Raul Castro

Frontiers in Chemistry, Vol 9 (2021)

Schlagworte: lipid nanoparticles; drug delivery; nanocarriers; lipid nanocarriers; nanotechnology; liposomes; Chemistry; QD1-999
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22
Trypanosomatid-Caused Conditions: State of the Art of Therapeutics and Potential Applications of Lipid-Based Nanocarriers

von Giuliana Muraca ; Ignacio Rivero Berti ; María L. Sbaraglini ; et al.

Frontiers in Chemistry, Vol 8 (2020)

Schlagworte: Chagas; leishmaniasis; human African trypanosomiasis; lipid nanoparticles; liposomes; solid lipid nano particles; Chemistry; QD1-999
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23
Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening

von Gantner, Melisa E. ; Prada Gori, Denis N. ; Llanos, Manuel A. ; et al.

Journal of Chemical Information and Modeling. 62(19):4760-4770
- View full text at ACS Publications
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24
Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo

von Llanos, Manuel A. ; Enrique, Nicolás ; Sbaraglini, María L. ; et al.

Journal of Chemical Information and Modeling. 62(12):3008-3022
- View full text at ACS Publications
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25
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules

von Prada Gori, Denis N. ; Llanos, Manuel A. ; Bellera, Carolina L. ; et al.

Journal of Chemical Information and Modeling. 62(12):2987-2998
- View full text at ACS Publications
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12 3 4 5 6 7 8 9 10 11 weiter »

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