Article
Chemistry, Physical
Aly Abdou
Summary: Three new metal complexes FeLphen, CoLphen, and NiLphen were synthesized and characterized in this study. The results showed that these complexes exhibited different structural variety. The most stable orientations of these complexes were determined using density functional theory calculations. Furthermore, the metal complexes demonstrated higher antibacterial and antifungal activity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Khadija El Gadali, Meriem Rafya, Az-eddine El Mansouri, Mohamed Maatallah, Arie Van-der Lee, Ahmad Mehdi, Abdelaaziz Ouahrouch, Fatiha Benkhalti, Yogesh S. Sanghvi, Moha Taourirte, Hassan B. Lazrek
Summary: A series of 2-quinolone-benzimidazole hybrids were synthesized using copper-catalyzed Huisgen 1,3-dipolar cycloaddition and condensation reaction. The synthesized compounds were characterized and their molecular geometries were optimized using DFT calculations. The compounds showed significant antibacterial activity against Escherichia coli and Staphylococcus aureus, with some compounds being more potent than the control drug ampicillin. The results were supported by theoretical calculations and molecular docking studies.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Roman Tumskiy, Boris Khlebtsov, Anastasiia Tumskaia, Stella Evstigneeva, Evgeniya Antoshkina, Andrey Zakharevich, Nikolai G. Khlebtsov
Summary: This paper reports a simple synthesis of water-soluble glutathione-capped silver nanoclusters (GSH-Ag NCs), which showed enhanced antibacterial activity. The synthesized GSH-Ag NCs were found to be a pure composition without any impurities. The antibacterial activity of the chelated silver in the nanoclusters was significantly higher compared to free silver ions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Uenal Korkmaz, Bahar Tuba Findik, Buelent Dede, Fatma Karipcin
Summary: This study synthesized mixed-ligand complexes and conducted various experiments and calculations to discover that the Cu(II) complex exhibits better antibacterial activity.
BIOORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Xiu-Mei Chen, Wang Lu, Zi-Han Zhang, Jia-Yao Zhang, Thi Mai Luong Tuong, Ling-Li Liu, Young Ho Kim, Chun-Huan Li, Jin-Ming Gao
Summary: Sixteen cassane diterpenoids were isolated from Caesalpinia pulcherrima and characterized. Some compounds showed antibacterial and anti-glioblastoma activities.
Article
Chemistry, Physical
Salah A. Abdel-Aziz, Katarina Cirnski, Jennifer Herrmann, Mohamed A. . A. . Abdel-Aal, Bahaa G. M. Youssif, Ola I. A. Salem
Summary: Fluoroquinolone compounds combined with thiouracil and thioxopyrimidine derivatives exhibit antibacterial, DNA gyrase, and urease inhibitory activities, with high purity and potency.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
Zihan Zhang, Panpan Wang, Mengsong Chen, Lu Xie, Xiujuan Zhang, Yefan Shi, Wang Lu, Qiang Zhang, Chunhuan Li
Summary: In this study, two novel cassane diterpenoids (pulchins A and B) were isolated from the medicinal plant Caesaplinia pulcherrima (L.) Sw. Pulchin A exhibited significant antibacterial activity against B. cereus and Staphylococcus aureus. Further investigation revealed that the antibacterial activity of pulchin A against B. cereus may be attributed to its interference with bacterial cell membrane proteins, leading to membrane permeability changes and cell damage or death.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Kriti Kashyap, Rita Kakkar
Summary: Histone deacetylases (HDACs) are important epigenetic regulators closely linked to various diseases. Current therapeutic strategies target multiple HDAC isoforms, but can result in off-target effects, highlighting the need for developing therapies that target specific isoforms. Efforts are being made to identify structural features of receptors and inhibitors to achieve selective inhibition of HDAC isoforms.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Multidisciplinary Sciences
Lin Bai, Bhawik K. Jain, Qinglong You, H. Diessel Duan, Mehmet Takar, Todd R. Graham, Huilin Li
Summary: This study reports the structure of the P4B ATPase Neo1 in several states, clarifying its substrate transport mechanism and revealing similar functional intermediate states to dimeric flippases. The findings suggest that evolutionarily distant P4 ATPases use a structurally conserved mechanism for substrate transport.
NATURE COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Said Daoui, Sahin Direkel, Munjed M. Ibrahim, Burak Tuzun, Tarik Chelfi, Mohammed Al-Ghorbani, Mustapha Bouatia, Miloud El Karbane, Anass Doukkali, Noureddine Benchat, Khalid Karrouchi
Summary: A series of pyridazinone derivatives were synthesized and characterized in this study. These compounds were screened for their antibacterial activities against several bacterial strains, and compounds 7 and 13 showed promising activity against multiple strains. Computational studies and ADMET studies were also conducted to explore the properties and potential uses of these compounds.
Article
Chemistry, Physical
Sonaimuthu Mohandoss, Naushad Ahmad, Mohammad Rizwan Khan, Yong Rok Lee
Summary: The aim of this study is to improve the solubility and dissolution rate of naproxen by forming inclusion complexes with 13-cyclodextrin derivatives. Various techniques were used to examine the interaction and characterize the inclusion complexes. The antibacterial activity of these complexes was also evaluated, showing enhanced activity against Staphylococcus aureus and Escherichia coli.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Biochemistry & Molecular Biology
Mikael Amaro de Souza, Leilane Gomes Rodrigues, Janaina Esmeraldo Rocha, Thiago Sampaio de Freitas, Paulo Nogueira Bandeira, Marcia Machado Marinho, Matheus Nunes da Rocha, Emmanuel Silva Marinho, Antonio Cesar Honorato Barreto, Henrique Douglas Melo Coutinho, Lorena Mara Alexandre Silva, Murilo Sergio da Silva Juliao, Kirley Marques Canuto, Aluisio Marques da Fonseca, Alexandre Magno Rodrigues Teixeira, Helcio Silva dos Santos
Summary: Chalcones are open chain flavonoid compounds that can be obtained from natural sources or by synthesis and are widely distributed in fruits, vegetables, and tea. They have a simple and easy to handle structure due to the alpha-beta-unsaturated bridge responsible for most biological activities. In this study, the chalcone (E)-1-(4-aminophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (HDZPNB) was characterized by spectroscopy and electronic methods, and its modulating effect on bacterial resistance was investigated.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Boyang Sun, Sanjana Ghosh, Xuedan He, Wei-Chiao Huang, Breandan Quinn, Meiling Tian, Dushyant Jahagirdar, Moustafa T. Mabrouk, Joaquin Ortega, Yumiao Zhang, Shuai Shao, Jonathan F. Lovell
Summary: This study explores the potential of photodynamic therapy (PDT) combined with chemotherapy for tumor ablation. Liposomes loaded with a photosensitizer and a potent anti-cancer drug were successfully developed and demonstrated effective tumor ablation in in vivo experiments. This liposome delivery system shows versatility and potential for achieving enhanced tumor treatment.
Article
Biochemistry & Molecular Biology
Ting Zhao, Xuan Zhang, Xu-Hua Nong, Xue-Ming Zhou, Ru-Ru Chai, Xiao-Bao Li, Guang-Ying Chen
Summary: Four previously undescribed highly oxygenated diterpenoids, named zeylleucapenoids A-D, were isolated from Leucas zeylanica and their structures were elucidated via NMR experiments. Compound 1's absolute configuration was determined by theoretical ECD calculations and X-ray crystallographic analysis, while compounds 2-4's configurations were assigned using theoretical ORD calculations. These compounds were tested for anti-inflammatory activity and compound 4 showed significant efficacy in inhibiting the production of nitric oxide. Further experiments demonstrated its inhibitory effect on pro-inflammatory cytokines and its non-toxic activity. Molecular docking analysis suggested the possible mechanism of action through binding to targets via hydrogen and hydrophobic bond interactions.
Review
Biochemistry & Molecular Biology
Lukasz Kuzma, Jan Gomulski
Summary: Pharmacognosy is a field of study that focuses on the diterpenoids, and Clerodendrum plants are an important source of these compounds. The diterpenoids isolated from Clerodendrum demonstrate a range of biological activities, including cytotoxic, antibacterial, and anti-inflammatory effects. Therefore, the study of diterpenoids from Clerodendrum plants is important for drug discovery and development.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Carlos E. A. de Melo, Celso R. Nicoleti, Marcos C. Rezende, Adailton J. Bortoluzzi, Renata da S. Heying, Robson da S. Oliboni, Giovanni F. Caramori, Vanderlei G. Machado
CHEMISTRY-A EUROPEAN JOURNAL
(2018)
Article
Chemistry, Applied
Carolina Aliaga, Amaia Lopez de Arbina, Camila Pastenes, Marcos Caroli Rezende
Article
Chemistry, Multidisciplinary
Marcos Caroli Rezende, Carolina Aliaga, German Barriga, Matias Vidal
JOURNAL OF CHEMICAL EDUCATION
(2018)
Article
Chemistry, Physical
Rafaela I. Stock, Crislaine Sandri, Marcos C. Rezende, Vanderlei G. Machado
JOURNAL OF MOLECULAR LIQUIDS
(2018)
Article
Chemistry, Applied
Javier Echeverria, Marcia Gonzalez-Teuber, Alejandro Urzua
NATURAL PRODUCT RESEARCH
(2019)
Article
Chemistry, Multidisciplinary
C. Aliaga, S. Michea, C. Pastenes, J. Salazar, M. C. Rezende
NEW JOURNAL OF CHEMISTRY
(2018)
Article
Chemistry, Physical
Marcelo Vilches-Herrera, Matias Concha-Puelles, Nicole Carvajal, Juana Molina, Rocio Santander, Marcos Caroli Rezende, Susan Luhr
CATALYSIS COMMUNICATIONS
(2018)
Article
Chemistry, Applied
Carolina Aliaga, Matias Vidal, Camila Pastenes, Marcos Caroli Rezende, Moises Dominguez
Article
Chemistry, Applied
Amaia Lopez de Arbina, Sonia Losada-Barreiro, Marcos Caroli Rezende, Matias Vidal, Carolina Aliaga
Article
Chemistry, Physical
Carolina Aliaga, Patricio Fuentealba, Francisco Munoz, Camila Pastenes, Marcos C. Rezende, Evgenia Spodine, Carlos Cardenas
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Spectroscopy
Moises Dominguez, Raul Mera-Adasme, Marcos Caroli Rezende
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2019)
Article
Spectroscopy
Raul Mera-Adasme, Marcos Caroli Rezende, Moises Dominguez
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2020)
Article
Chemistry, Physical
Carolina Aliaga, Moises Dominguez, Pablo Rojas, Marcos Caroli Rezende
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Applied
Carlos E. A. de Melo, Moises Dominguez, Marcos C. Rezende, Vanderlei G. Machado
Summary: Solvatochromic dyes, especially Effenberger's dye (ED), have been used to probe the polarity of the medium. Six imine probes inspired by ED were synthesized and characterized, showing positive solvatochromism similar to ED. The study highlights the importance of polarizability in solvation of the dyes.
Article
Chemistry, Physical
Crislaine Sandri, Carlos E. A. de Melo, Luciano A. Giusti, Marcos C. Rezende, Vanderlei G. Machado
Summary: The study investigates the solvatochromic behavior of solvatochromic dyes in binary solvent mixtures, focusing on the PSI values in relation to solute-solvent interactions and the intrinsic properties of the probe. The comparison of PSI values for different dyes in binary mixtures provides valuable insights into solvation phenomena.
JOURNAL OF MOLECULAR LIQUIDS
(2021)