Publications
- Directed C-H Allylation of Aromatic Carboxamides with Allyl Aryl Ethers under Cp*Co(III)-Catalysis European Journal of Organic Chemistry, 2024; 27, e202301090
- OptiMo-LDLr: An Integrated In Silico Model with Enhanced Predictive Power for LDL Receptor Variants, Unraveling Hot Spot Pathogenic Residues Advanced Science, 2024; 11(13), 2305177
- Warfarin–A natural anticoagulant: A review of research trends for precision medication Phytomedicine, 2024; 128, 155479
- Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy Biomedicine & Pharmacotherapy, 2024; 174, 116602
- MATEO: InterMolecular a-Amidoalkylation Theoretical Enantioselectivity Optimization. Online Tool for Selection and Design of Chiral Catalysts and Products Journal of Cheminformatics, 2024; 16, 9
- Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family Journal of Chemical Information and Modeling, 2024; 64 (6), 1841 - 1852
- Palladium-Catalyzed Oxidative Arene C-H Alkenylation Reactions Involving Olefins Trends in Chemistry, 2022; 4, 495 - 511
- Microwave-assisted Palladium catalysed C-H acylation with aldehydes. Synthesis and diversification of 3-acylthiophenes Organic & Biomolecular Chemistry, 2022; 20, 852 - 861
- Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives J. Chem. Inf. Model., 2022; 62, 16, 3928 - 3940
- Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa Bioorganic Chemistry, 2021; 109, 104745
- Palladium-mediated Synthesis and Biological Evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as Antileishmanial Agents Eur. J. Med. Chem, 2021; 220, 113458
- Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins ACS Omega, 2021; 6, 29483 - 29494
- Perturbation-Theory Machine Learning (PTML) Multilabel Model of the ChEMBL Dataset of Preclinical Assays for Antisarcoma Compounds ACS OMEGA, 2020; 5, 27211 - 27220
- Intramolecular Palladium(II)-Catalyzed 6-endo C−H Alkenylation Directed by the Remote N-Protecting Group: Mechanistic Insight and Application to the Synthesis of Dihydroquinolines J. Org. Chem., 2020; 85, 2486 - 2503
- Cp*Co(III)-Catalyzed C–H Hydroarylation of Alkynes and Alkenes and Beyond: A Versatile Synthetic Tool ACS Omega, 2020; 5, 24974 - 24993
- Amide-Directed Intramolecular Co(III)-Catalyzed C-H Hydroarylation of Alkenes for the Synthesis of Dihydrobenzofurans with a quaternary center J. Org. Chem., 2020; 85, 10261 - 10270
- Palladium-catalysed Heck-type alkenylation reactions in the synthesis of quinolines. Mechanistic insights and recent applications Catalysis Science & Technology, 2020; 10, 5345 - 5361
- PTML Multi-Label Algorithms: Models, Software, and Applications Curr. Top. Med. Chem, 2020; 20(25), 2326 - 2337
- Selective Pd(II)-catalyzed Acylation of Pyrrole with Aldehydes. Application to the Synthesis of Celastramycin analogues and Tolmetin Eur. J. Org. Chem., 2020; 4284 - 4295
- Front Cover: Selective PdII-Catalyzed Acylation of Pyrrole with Aldehydes. Application to the Synthesis of Celastramycin Analogues and Tolmetin Eur. J. Org. Chem., 2020
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