MOLECULAR DIVERSITY AND MEDICINAL CHEMISTRY LABORATORY
Responsable professor:
Arthur Eugen Kummerle
Cedric Stephan Graebin
The survey activities of the Laboratory are focused on the Medicinal Chemistry, aiming to discovery and development of new bioactive compounds, new potentially therapeutic medicines for several diseases and Organic Synthesis heterocycle compounds.
MOLECULAR MODELING LABORATORY
Responsable professor: Carlos Mauricio Rabello de Sant’Anna (e-mail: santanna@ufrrj.br)
Lines of reseach
Bioactive molecules – both natural and synthetic – act by modulating different processes in biological systems. In general, it is due to interactions with biomacromolecules present in these systems, such as enzymes and receptors, for example.
These interactions depend on the molecular structure. Thus, both the understanding of their mode of actions and the discovery of compounds might take advantage from detailed knowledge of the molecular structure.
LabMol – UFRRJ has developed projects in research lines that explore molecular modeling tools in order to obtain this knowledge and thus contribute to the development of bioactive compounds, with potential applications in the areas of human health, especially for neglected diseases and agriculture
Publication
1- A procedure combining molecular docking and semiempirical method PM7 for identification of selective Shp2 inhibitors. BIOPOLYMERS, v. 00, p. e23320, 2019.
2- Virtual Screening Techniques in Drug Discovery: Review and Recent Applications. CURRENT TOPICS IN MEDICINAL CHEMISTRY, v. 19, p. 1751-1767, 2019.
3- Protein Tyrosine Phosphatase SHP-2 and its Relation with Cancer. REVISTA VIRTUAL DE QUÍMICA, v. 9, p. 1342-1363, 2017.
4- Fluorescence and Docking Studies of the Interaction between Human Serum Albumin and Pheophytin. Molecules (Basel. Online), v. 20, p. 19526-19539, 2015.
5- Novel 3,4-methylenedioxyde-6-X-benzaldehyde-thiosemicarbazones: synthesis and antileishmanial effects against Leishmania amazonensis. European Journal of Medicinal Chemistry, v. 103, p. 409-417, 2015.
LABORATORY OF COORDINATION AND MEDICINAL INORGANIC CHEMISTRY
Responsable Professor:
Amanda Porto Neves (e-mail: amandanevess@ufrrj.br)
Gustavo Bezerra da Silva (e-mail: gusbezerra@ufrrj.br)
Line of reseach
Established in 2013, the LAQCIM develops researches on Medicinal Inorganic Chemistry, in search of coordination compounds with potential biological activity against diseases, such as cancer, viral and bacterial infections, among others. The developed metal complexes carry organic molecules of pharmacological interest, such as derivatives of coumarins, quinolones, hydrazones, thiosemicarbazones and curcuminoids. The laboratory also works on the development of multifunctional nanomaterials for biomedical applications.
Publication
1- Effects of Cu(II) and Zn(II) coordination on the trypanocidal activities of curcuminoid-based ligands. INORGANICA CHIMICA ACTA, v. 501, p. 119237, 2020.
2- New Ru(II)-DMSO complexes containing coumarin-N-acylhydrazone hybrids: synthesis, X-ray structures, cytotoxicity and antimicrobial activities. POLYHEDRON, v. 171, p. 20-31, 2019.
3- Redox-Activated Drug Delivery Properties and Cytotoxicity of Cobalt Complexes Based on a Fluorescent Coumarin-β-Keto Ester Hybrid. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, v. 2019, p. 4031-4039, 2019.
4- Synthesis of copper(II) and zinc(II) complexes with chalcone-thiosemicarbazone hybrid ligands: X-ray crystallography, spectroscopy and yeast activity. TRANSITION METAL CHEMISTRY, v. 43, p. 739-751, 2018.
5- Novel CoIII complexes containing fluorescent coumarin-N-acylhydrazone hybrid ligands: Synthesis, crystal structures, solution studies and DFT calculations. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 187, p. 130-142, 2017.
CHEMICAL KINECTS LABORATORY
Responsible professor: Glauco Favilla Bauerfeldt (e-mail: bauerfeldt@ufrrj.br)
Line of research: theoretical studies in chemical kinetics. Research Projects: Numerical Simulations of Chemical Processes and Combustion, Kinetics and Dynamics of Chemical Reactions, Atmospheric Chemistry, Astrochemistry, Condensed Phase Reactions and Solutions, Heterogeneous Kinetics: Reactions on Surfaces and Interfaces, Thermodynamic of Solids, Kinetics and Thermodynamic of Interfaces, Action of the Project Methodology in the teaching and learning process.
Last publication
1- Reaction at Combustion, Atmospheric and Interstellar Medium Conditions. JOURNAL OF PHYSICAL CHEMISTRY A, v. 124, p. 2309-2317, 2020. DOI: 10.1021/ACS.JPCA.9B11690
2- What Rules the Relative Stability of alpha-, beta- and gamma-Glycine Polymorphs?. CRYSTAL GROWTH & DESIGN, v. 20, p. 4695-4706, 2020. DOI: 10.1021/acs.cgd.0c00489
3- Temperature dependence of rate coefficients for the gas phase reaction of OH with 3-chloropropene. A theoretical and experimental study. CHEMICAL PHYSICS LETTERS, v. 755, p. 137757, 2020. DOI: 10.1016/J.CPLETT.2020.137757
4- Multipath kinetics of the reaction of OH radical with 1-pentene. ARKIVOC (ONLINE), v. 2020, p. 20-33, 2020. DOI: 10.24820/ark.5550190.p011.104
5- Thermodynamic and Kinetic Aspects of Glycine and its Radical Cation Under Interestellar Medium Conditions. MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, v. 486, p. 2153-2164, 2019. DOI: 10.1093/MNRAS/STZ936
LABORATORY OF OXIDATIVE STRESS IN MICROORGANISMS
Responsible professor Cristiano Jorge Riger (e-mail: cjriger@yahoo.com.br)
The laboratory of Oxidative Stress in Microorganisms has expertise in biological evaluation of natural, semi-synthetic and synthetic substances, analyzing both the toxicity of these substances and their potential antioxidants. The use of Saccharomyces Cerevisiae cells as a eukaryotic study model used in these analyzes makes the results very important from the point of view of higher organisms, especially with the use of deficient mutant strains in antioxidant systems, such as the catalase enzymes, superoxide dismutase and the glutathione tripeptide.
Last publications:
1- Aroeira fruit (Schinus terebinthifolius Raddi) as a natural antioxidant: Chemical constituents, bioactive compounds and in vitro and in vivo antioxidant capacity. FOOD CHEMISTRY, v. 315, p.126274, 2020.
2- Chemical characterization and antioxidant activity in vivo of parsley (Petroselinum crispum) aqueous extract. Food & Function, v. 11, p. 5346-5356, 2020.
3- Antioxidant effect of caffeic acid derivatives on sod and glutathione defective yeasts. Applied Biochemistry and Microbiology, v. 55, p. 264-269, 2019.
4- In vitro activity of essential oils against adult and immature stages of Ctenocephalides felis felis. Parasitology, v. 147, p. 340-347, 2019.
RESEARCH LABORATORY IN CHEMISTRY OF NATURAL PRODUCTS.
Responsible professor
Marcia Cristina Campos de Oliveira Depto de Química Orgânica – IQ-UFRRJ; (e-mail: mccdeo@gmail.com)
Luciano Ramos Suzart Depto de Química Orgânica – IQ-UFRRJ; (e-mail: lrsuzart@ufrrj.br)
The Research Laboratory in Chemistry of Natural Products – LQPN/S-55 – is a restricted-use Lab with the main line of research in the chemistry of natural products in its breadth, where research projects are developed from the beginning around the chemistry of natural products and biological activity, qualitative and qualitative determination of natural products, polymers associated with natural products, quality control of medicines and cosmetics and forensic and environmental analysis. Following these features, Laboratory 55 has housed, in an interdisciplinary space, multiple connected research groups, in which professors from Chemistry Institute and other higher education and research institutions, as well as researchers in training, distributed among scientific initiation and postgraduate students and in projects that aim at the preparation of Final Papers (term paper and technical reports). The professors that until today stand responsible for the Laboratory 55 have made efforts to maintain the logistics of work of the laboratory, including operating infrastructure, since the scientific activities developed on it need resources and technologies that aim at obtaining the results. In addition to the above activities, Laboratory 55, which will be treated as LQPN, has promoted academic events open to high school students through extension projects submitted during the SNCTs .
Line of research
1. Phytochemical Evaluation and Biographical Activity of Non-Conventional Food Plants and Seaweed
2. Synthesis of Acrylic Polymers Associated with Natural Products
3. Chemical Studies of Plant Species from the Brazilian Biodiversity
4. Applied Analytical Chemistry with focus on Quality Control and Forensic and Environmental Monitoring
Last publications:
1- (Capítulo de Livro) Rodrigo César Fernandes Barbosa ; Márcia Cristina Campos de Oliveira ; Aurea Echevarria Aznar Neves Lima ; Elisa Cavalcante Pereira ; Marcelo Duarte Pontes ; Eduardo Caio Torres-Santos ; Valter Viana de Andrade-Neto . AVALIAÇÃO DA ATIVIDADE LEISHMANICIDA E CITOTOXICIDADE DE EXTRATOS E FRAÇÕES DE Hypnea musciformis. In: Dionatas Ulises de Oliveira Meneguetti; Jader de Oliveira; Luís Marcelo Aranha Camargo. (Org.). Atualidades em medicina tropical no Brasil: protozoários. 22ed.Rio Branco: Stricto Sensu, 2020, v., p. 1-386.
2- Polimetacrilato de Metila – Feofitinas: Uma Alternativa para o Processo de Reciclagem de Papel. RVQ, 2019,11(5).
3- EXTRATO DE HIBISCO-COLIBRI COMO INIBIDOR VERDE DE CORROSÃO DO AÇO-CARBONO EM ÁCIDO SULFÚRICO. QUIMICA NOVA, v. XY, p. 1-6, 2019.
4- In vitro tyrosinase, acetylcholinesterase, and HSA evaluation of dioxidovanadium (V) complexes: An experimental and theoretical approach. JOURNAL OF INORGANIC BIOCHEMISTRY, v. 200, p. 1-11, 2019.
AROMATIC AND MEDICINAL PLANTS LABORATORY
Responsible professor: Marco Andre Alves de Souza
The LabPAM was created with the purpose of serving the development of academic activities, mainly basic and applied research involving aromatic and medicinal plants. The focus of the research involves the prospection of plant species in search of natural products, especially essential oils and the development of biotechnological applications useful to the agricultural sector. The laboratory has its own facilities and the support from research groups in different areas of knowledge, such as agronomy, biology, chemistry, pharmacy and veterinary science.
Line of research
1) Aromatic Plants and Essential Oils
2) Metabolism
Last publications:
1- Productive, metabolic and anatomical parameters of menthol mint are influenced by light intensity. Anais da Academia Brasileira de Ciências, 2020.
2- Hydrodistillation Extraction Kinetics of Volatile Oils from Varronia curassavica and Laurus nobilis. Revista Brasileira de Farmacognosia, 2020.
3- In vitro acaricidal activity of Cymbopogon citratus, Cymbopogon nardus and Mentha arvensis against Rhipicephalus microplus (Acari: Ixodidae). Experimental Parasitology, 2020.
4- In vitro activity of essential oils against adult and immature stages of Ctenocephalides felis felis.
Parasitology, 2020.
5- Efficacy of lemongrass essential oil and citral in controlling Callosobruchus maculatus (Coleoptera: Chrysomelidae), a post-harvest cowpea insect pest. Crop Protection, 2019.
NATURAL BIOACTIVE CHEMISTRY LABORATORY
Responsible professor: Douglas Siqueira de Almeida Chaves
Created in 2012, LQBioN has been developing studies in the area of Natural Products Chemistry (plant and animal species) and biological activity, leading to the training of human resources at the undergraduate and graduate levels.
Photochemistry Laboratory
Analytical Chemistry Research Laboratory
Medicinal Chemistry Laboratory
Honey Chemistry Laboratory
Natural Products Chemistry Laboratory
Inorganic Synthesis Laboratory
Organica Synthesis Laboratory