Results 81 to 90 of about 506 (138)

Structure-Based Identification of Natural Inhibitors Targeting the Gc Glycoprotein of Oropouche Virus: An In Silico Approach. [PDF]

Int J Mol Sci
Vargas-Echeverría C, Saurith-Coronell O, Rodriguez-Macías J, Márquez Brazón EA, Mora JR, Fuentes-Gandara F, Paz JL, Salazar F.   +7 more
europepmc   +1 more source

Computational Identification of Potential Novel Allosteric IHF Inhibitors Using QSAR Modeling to Inhibit Plasmid-Mediated Antibiotic Resistance. [PDF]

Int J Mol Sci
Saurith-Coronell O, Sierra-Hernandez O, Rodríguez-Macías JD, Mora JR, Perez-Perez N, Alcázar JJ, Moura RO, Nascimento IJDS, Márquez Brazón EA, Marrero-Ponce Y.   +9 more
europepmc   +1 more source

Oxygen-Vacancy-Induced Electronic Structure Modulation in ZnTiO₃ Perovskite: A Combined DFT and SCAPS-1D Study Toward Photovoltaic Applications. [PDF]

Int J Mol Sci
Tenezaca A, Jaramillo-Fierro X.
europepmc   +1 more source

Clove Essential Oil as an Antifungal Agent and Putative Dual-Action Antifungal Mechanism: Experimental Validation and Computational Insights into Orthosteric and Allosteric Modulation of Chitin Synthase I in <i>Penicillium</i> Species. [PDF]

Molecules
Castillo Y, Márquez Brazón EA, Peralta-Ruiz Y, Chaves-López C, Saurith-Coronell O, Grande-Tovar CD.   +5 more
europepmc   +1 more source

Chemical Profiling and Cheminformatic Insights into <i>Piper</i> Essential Oils as Sustainable Antimicrobial Agents Against Pathogens of Cocoa Crops. [PDF]

Molecules
Duarte D, Fuentes-Estrada M, Martínez Aroca Y, Sendoya-Gutiérrez P, Osorio MI, Yáñez O, Areche C, Stashenko E, García-Beltrán O.   +8 more
europepmc   +1 more source

Chemical Composition, Antioxidant, and Anti-Inflammatory Activity of the Antarctic Lichen <i>Leptogium puberulum</i>: A Combination of Metabolomic, In Vitro, and In Silico Approaches. [PDF]

Int J Mol Sci
Torres-Benítez A, Ortega-Valencia JE, Salazar JR, Monje K, Ley-Martínez J, Vargas-Arana G, Simirgiotis MJ.   +6 more
europepmc   +1 more source

In Silico Identification of Potential Clovibactin-like Antibiotics Binding to Unique Cell Wall Precursors in Diverse Gram-Positive Bacterial Strains. [PDF]

Int J Mol Sci
Sierra-Hernandez O, Saurith-Coronell O, Rodríguez-Macías J, Márquez E, Mora JR, Paz JL, Flores-Sumoza M, Mendoza-Mendoza A, Flores-Morales V, Marrero-Ponce Y, Barigye SJ, Martinez-Rios F.   +11 more
europepmc   +1 more source

Effect of Ultrasound and Chemical Cross-Linking on the Structural and Physicochemical Properties of Malanga (<i>Colocasia esculenta</i>) Starch. [PDF]

Foods
Martínez-Cigarroa AS, Rodríguez-Jimenes GDC, Aparicio-Saguilán A, Carpintero-Tepole V, García-Alvarado MÁ, Carrera C, Fernández Barbero G, Vázquez-Espinosa M, Vázquez-León LA.   +8 more
europepmc   +1 more source

Structure-Guided Discovery of Benzoic-Acid-Based TRPC6 Ligands: An Integrated Docking, MD, and MM-GBSA SAR Study: Potential Therapeutic Molecules for Autism Spectrum Disorder. [PDF]

Pharmaceuticals (Basel)
Silva NI, Sabadini G, Cabezas D, González C, González P, Luo J, Salas CO, Mellado M, Lorca M, Romero-Parra J, Mella J.   +10 more
europepmc   +1 more source

Molecular Modeling of Vasodilatory Activity: Unveiling Novel Candidates Through Density Functional Theory, QSAR, and Molecular Dynamics. [PDF]

Int J Mol Sci
Bernal A, Márquez EA, Flores-Sumoza M, Cuesta SA, Mora JR, Paz JL, Mendoza-Mendoza A, Rodríguez-Macías J, Salazar F, Insuasty D, Marrero-Ponce Y, Agüero-Chapin G, Flores-Morales V, Carrascal-Hernández DC.   +13 more
europepmc   +1 more source