| Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine RA Costa, PO Pitt, MLB Pinheiro, KMT Oliveira, KS Salomé, A Barison, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 174, 94-104, 2017 | 59 | 2017 |
| Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids … RA Costa, KMT Oliveira, EV Costa, MLB Pinheiro Journal of Molecular Structure 1145, 254-267, 2017 | 26 | 2017 |
| Theoretical Investigation of the Structural, Spectroscopic, Electronic, and Pharmacological Properties of 4‐Nerolidylcathecol, an Important Bioactive Molecule RA Costa, ESA Junior, JA Bezerra, JM Mar, ES Lima, MLB Pinheiro, ... Journal of Chemistry 2019 (1), 9627404, 2019 | 22 | 2019 |
| New insights into structural, electronic, reactivity, spectroscopic and pharmacological properties of Bergenin: Experimental, DFT calculations, MD and docking simulations RA Costa, JN da Silva, VG Oliveira, LM Anselmo, MM Araujo, ... Journal of Molecular Liquids 330, 115625, 2021 | 18 | 2021 |
| Experimental and theoretical study on spectral features, reactivity, solvation, topoisomerase I inhibition and in vitro cytotoxicity in human HepG2 cells of guadiscine and … RA Costa, GA Barros, JN da Silva, KM Oliveira, DP Bezerra, MBP Soares, ... Journal of Molecular Structure 1229, 129844, 2021 | 18 | 2021 |
| Structural, vibrational, UV–vis, quantum-chemical properties, molecular docking and anti-cancer activity study of annomontine and N-hydroxyannomontine β-carboline alkaloids: a … RA Costa, ESA Junior, GBP Lopes, MLB Pinheiro, EV Costa, DP Bezerra, ... Journal of Molecular Structure 1171, 682-695, 2018 | 18 | 2018 |
| Quantum chemical properties investigation and molecular docking analysis with DNA topoisomerase II of β-carboline indole alkaloids from Simaba guianensis: a … RA Costa, KMT Oliveira, R de Cássia Saraiva Nunomura, ESA Junior, ... Structural Chemistry 29, 299-314, 2018 | 18 | 2018 |
| Structural, vibrational, and electronic properties of the glucoalkaloid strictosidine: a combined experimental and theoretical study RA Costa, MLB Pinheiro, KMT Oliveira, A Barison, KS Salomé, JR Iank, ... Journal of Chemistry 2016 (1), 1752429, 2016 | 17 | 2016 |
| Analyses of Ampelozizyphus amazonicus, a plant used in folk medicine of the Amazon Region JR Silva, GM Correa, R Carvalho, RA Costa, MLB Pinheiro, LM Araujo, ... Pharmacognosy Magazine 5 (17), 2009 | 16 | 2009 |
| Quantum chemical studies, vibrational analysis, molecular dynamics and docking calculations of some ent-kaurane diterpenes from Annona vepretorum: a theoretical approach to … RA Costa, JN da Silva, KMT Oliveira, LM Dutra, EV Costa Structural Chemistry 31 (3), 1223-1243, 2020 | 9 | 2020 |
| Theoretical and experimental study by DFT, molecular docking calculations and cytotoxicity assay of 7, 7-dimethylaporphine alkaloids type isolated from Guatteria friesiana … ADS Branches, RA Costa, ESA Junior, DP Bezzera, MBP Soares, ... Journal of Molecular Structure 1177, 347-362, 2019 | 9 | 2019 |
| Geometry and stability of molecular clusters: Factor to be considered in Biomolecular activity NG Silva, AM Alecrim, R Costa, KMT Oliveira Journal of Brasilian chemical society, 2018 | 9 | 2018 |
| Spectroscopic, solvation effects and MD simulation of an adamantane-carbohydrazide derivative, a potential antiviral agent LH Al-Wahaibi, M Abdalla, YS Mary, YS Mary, RA Costa, M Rana, ... Polycyclic Aromatic Compounds 43 (3), 2056-2070, 2023 | 8 | 2023 |
| Structural, electronic, vibrational and pharmacological investigations of highly functionalized Diarylmethane molecules using DFT calculations, molecular dynamics and molecular … PB Kole, SP Kollur, HD Revanasiddappa, C Shivamallu, RA Costa, ... Polycyclic Aromatic Compounds 43 (3), 2177-2195, 2023 | 6 | 2023 |
| Synthesis, Characterization and in vitro, in vivo and in silico Anti-Inflammatory Studies of the Novel Hybrid Based on Ibuprofen and 3-Hydroxy-Copalic Acid Isolated from … FC Souza, LF Brito, MT Silva, MA Sugimoto, ACS Pinto, PDO Almeida, ... Journal of the Brazilian Chemical Society 31 (7), 1335-1344, 2020 | 6 | 2020 |
| Novel route for the synthesis of azepine derivative using tin-based catalyst: Spectroscopic characterization and theoretical investigations KS Prasad, RA Costa, ADS Branches, KMT Oliveira Journal of Molecular Structure 1178, 491-499, 2019 | 6 | 2019 |
| DFT investigations on the interactions between pyrimidine derivatives and Ag/Au/Cu metal clusters: solvation effects and reactivity analysis JS Al-Otaibi, YS Mary, YS Mary, R Thomas, RA Costa Journal of Cluster Science 34 (6), 2847-2858, 2023 | 4 | 2023 |
| Insights into solvation, chemical reactivity, structural, vibrational and anti-hypertensive properties of a thiazolopyrimidine derivative by DFT and MD simulations JS Al-Otaibi, RA Costa, EV Costa, VL Tananta, YS Mary, YS Mary Structural Chemistry 33 (4), 1271-1283, 2022 | 4 | 2022 |
| DFT Studies and Acetylcholinesterase Inhibition Capacity Analysis of an Adamantane-Isothiourea Derivative via Docking and MD Calculations LH Al-Wahaibi, AA El-Emam, HM Hassan, YS Mary, YS Mary, RA Costa, ... Polycyclic Aromatic Compounds 44 (3), 1880-1895, 2024 | 1 | 2024 |
| DFT, ADME studies and evaluation of the binding with HSA and MAO-B inhibitory potential of protoberberine alkaloids from Guatteria friesiana: theoretical insights … VL Tananta, EV Costa, YS Mary, YS Mary, J S. Al-Otaibi, RA Costa Journal of Molecular Modeling 29 (11), 353, 2023 | 1 | 2023 |
Kelson Mota Teixeira OliveiraProfessor Físico-Química, Departamento de Química, Universidade Federal do Amazonas在 ufam.edu.br 的电子邮件经过验证
