Article
Chemistry, Physical
Ali Shakerimoghaddam, Hossein Safardoust-Hojaghan, Omid Amiri, Masoud Salavati-Niasari, Ahmad Khorshidi, Azad Khaledi
Summary: This study investigated the effects of various nanoparticles on the growth and biofilm formation of Streptococcus mutans, a main cause of tooth decay. The results showed that these nanoparticles could inhibit the growth and biofilm formation of Streptococcus mutans, and decrease the expression of related genes. Among them, Ca19Zn2(PO4)(14) nanoparticles had the best effect and could potentially be used as a coating on dental surfaces.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Agricultural Engineering
Yustina M. Pusparizkita, Christian Aslan, Wolfgang W. Schmahl, Hary Devianto, Ardiyan Harimawan, Tjandra Setiadi, Yan Jer Ng, Athanasius P. Bayuseno, Pau Loke Show
Summary: Microbiologically influenced corrosion (MIC) is a destructive phenomenon that can occur in diesel mixture storage tanks, particularly due to the presence of biodiesel. The study identified the bacteria responsible for MIC and found that B. licheniformis can produce gamma-polyglutamate as a corrosion inhibitor. This suggests that B. licheniformis-mediated biocorrosion may promote the use of biodiesel as an environmentally friendly biofuel.
BIOMASS & BIOENERGY
(2023)
Article
Biophysics
Leslie K. Daille, Javiera Aguirre, Javiera Anguita, Carlos Galarce, Luis Caro-Lara, Francisco Armijo, Ignacio T. Vargas, Gonzalo Pizarro, Magdalena Walczak, Rodrigo De la Iglesia
Summary: The composition of the passive film on alloys affects the selection of microbial biofilms, but the mechanism is not fully understood or incorporated into the analysis of corrosive biofilms. The degradation of stainless steel exposed to natural seawater was studied to investigate how the oxide layer composition influences the bacterial community. Austenitic and superferritic stainless steel grades were exposed to natural seawater, and the corrosion and biofilm formation were monitored. Bacterial communities were analyzed through massive sequencing, and the results showed that the similarity of bacterial community correlated with the variability of corrosion rate, with higher representation of certain bacterial families in stainless steels with an increased Fe/Cr ratio. Iron content in the oxide layer is found to be a key feature in selecting bacterial assemblages in marine environments.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2023)
Article
Biochemistry & Molecular Biology
Daniele Zampieri, Sara Fortuna, Maurizio Romano, Alessandro De Logu, Gianluigi Cabiddu, Adriana Sanna, Maria Grazia Mamolo
Summary: We designed and synthesized a library of hydrazide derivatives to screen for novel antimycobacterial molecules. In vitro tests showed that five compounds had high activity against M. tuberculosis H37Ra attenuated strain and two compounds were effective against pyrazinamide-resistant strains. The compounds showed no antimycotic activity and low cytotoxicity against human cells. Molecular modeling suggested a plausible mechanism of action towards the active site of the InhA enzyme. The compounds were predicted to be potentially orally absorbed in humans.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Javiera Anguita, Gonzalo Pizarro, Ignacio T. Vargas
Summary: A mechanistic mathematical model of microbial corrosion induced by sulfate-reducing bacteria (SRB) through extracellular electron transfer (EET) was developed and implemented in this study. The simulations of biofilm development and growth-associated corrosion were in agreement with experimental evidence, revealing the main parameters controlling MIC.
BIOELECTROCHEMISTRY
(2022)
Article
Veterinary Sciences
Emad Mohammed Elken, Zi-ning Tan, Qian Wang, Xiu-yun Jiang, Yu Wang, Yi-ming Wang, Hong-xia Ma
Summary: This study illustrates the mechanisms of eugenol on the Rcs phosphorelay system and its impact on biofilm formation in Klebsiella pneumoniae. The results show that eugenol promotes biofilm formation and plays a key role in the expression of rcsB gene. These findings reveal the potential risk of sub-MIC eugenol as a natural anti-biofilm ingredient in treating drug-resistant bacteria.
FRONTIERS IN VETERINARY SCIENCE
(2022)
Article
Biotechnology & Applied Microbiology
S. A. Wade, J. S. Webb, R. B. Eckert, G. E. Jenneman, S. A. Rice, T. L. Skovhus, P. Sturman, S. P. Kotu, M. Richardson, D. M. Goeres
Summary: This paper summarises a round table forum held at the 2021 International Biodeterioration and Biodegradation Symposium, discussing the potential role of standards in biofilm research and industry innovation. It reviews standards and best-practice guidance in both academic research and industry impacts. The complex nature of biofilm-associated problems and limited training for industry personnel often hinder the ability to provide best-practice solutions, therefore, more effort is needed to provide consensus on standard test methods or guidance documents for studying and combating biofilms.
INTERNATIONAL BIODETERIORATION & BIODEGRADATION
(2023)
Article
Microbiology
Agata Bialucha, Eugenia Gospodarek-Komkowska, Joanna Kwiecinska-Pirog, Krzysztof Skowron
Summary: Biofilm formed by Salmonella enterica on the surface of gallstones or biomaterials promotes the development and spread of chronic infection. The study aimed to assess biofilm formation on polystyrene surfaces under different nutritional conditions and the effect of glucose, bile, and sub-inhibitory concentrations of ampicillin on Salmonella enterica biofilm formation. The results showed that 1.0% glucose and 3.0% bovine bile inhibited biofilm formation, and all sub-MIC concentrations of ampicillin also inhibited biofilm formation. Biofilm formation varied depending on the serovar under different conditions.
Article
Microbiology
Yash S. Raval, Laure Flurin, Abdelrhman Mohamed, Kerryl E. Greenwood-Quaintance, Haluk Beyenal, Robin Patel
Summary: The study found that HOCl has similar activity against planktonic and biofilm bacteria, while H2O2 is less effective against biofilm bacteria. Repeat exposure to electrochemically generated HOCl or H2O2 does not lessen antibiofilm effects.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2021)
Article
Chemistry, Medicinal
Ruan C. B. Ribeiro, Daniel B. de Marins, Iris Di Leo, Luana da Silva Gomes, Matheus G. de Moraes, Bruno L. Abbadi, Anne D. Villela, Wellington F. da Silva, Luiz Claudio R. P. da Silva, Pablo Machado, Cristiano Valim Bizarro, Luiz Augusto Basso, Marcela Cristina de Moraes, Vitor F. Ferreira, Fernando de C. da Silva, Vanessa Nascimento
Summary: Tuberculosis is a deadly disease that infects millions of people worldwide. Recent advancements in drug development have led to the creation of a series of menadione-derived selenoesters with promising results against drug-resistant strains of Mycobacterium tuberculosis. These hybrid compounds have shown potential as new anti-tubercular agents to combat multidrug resistance.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Infectious Diseases
Yinjuan Guo, Jinghui Yang, Weiping Wang, Xiaocui Wu, Baoshan Wan, Hongxiu Wang, Wei Sha, Fangyou Yu
Summary: This study found that bedaquiline, delamanid, clofazimine, and linezolid may exhibit excellent in vitro activity against multidrug-resistant tuberculosis (MDR-TB) isolates. The detection of resistance to bedaquiline and linezolid in extremely drug-resistant tuberculosis (XDR-TB) isolates is concerning. Universal drug susceptibility testing for Mycobacterium tuberculosis, especially in MDR-TB and XDR-TB patients, is necessary.
INFECTION AND DRUG RESISTANCE
(2023)
Article
Environmental Sciences
Lei Yuan, Luyao Fan, Hongchao Dai, Guoqing He, Xiangfeng Zheng, Shengqi Rao, Zhenquan Yang, Xin-an Jiao
Summary: Exposure to sub-inhibitory concentrations of antibiotics can induce biofilm formation in microorganisms, but the underlying mechanisms are still unclear. This study used RNA-sequencing and untargeted metabolomics to investigate the potential mechanisms of tetracycline-induced biofilm formation in Salmonella Typhimurium M3. The results showed that tetracycline at 1/8 MIC significantly increased biofilm formation, and key pathways involved amino acid metabolism, lipid metabolism, nucleotide metabolism, pantothenate and CoA biosynthesis, and ABC transporters. This study highlights the importance of low antimicrobial concentrations on foodborne pathogens.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Review
Chemistry, Medicinal
Sisir Nandi, Bhumika Chauhan, Heena Tarannum, Mayank Kumar Khede
Summary: Polypharmacology refers to drugs that have interactions with multiple targets of a unique disease or many disease pathways. It is greatly appreciated in the treatment of complex diseases such as oncology, CNS disorders, and anti-infectives. The integration of diverse compounds from public databases is used for polypharmacological drug discovery research. The study aims to explore the polypharmacological effects of 4-aminoquinoline drugs in combating malaria, cancer, and tuberculosis.
CURRENT TOPICS IN MEDICINAL CHEMISTRY
(2023)
Article
Infectious Diseases
Aisha Noreen, Hamid Masood, Jaweria Zaib, Zara Rafaque, Areeta Fatima, Hira Shabbir, Javaria Alam, Aisha Habib, Saba Noor, Kinza Dil, Javid Iqbal Dasti
Summary: This study investigated the effects of antibiotics on bacterial biofilms and analyzed the antibiotic resistance and virulence genes in poultry-meat associated E. coli strains. The results showed that E. coli isolates had high resistance to lincomycin and low resistance to cefotaxime and polymyxin B. Colistin exhibited significant anti-biofilm activity, while sub-MIC levels of gentamicin, ceftriaxone, and enrofloxin inhibited biofilm formation.
Article
Chemistry, Applied
Renata Freire Alves Pereira, Lialyz Soares Pereira Andre, Felipe Ramos Pinheiro, Julia Scaffo, Arthur Luiz Correa, Tainara Aparecida Nunes Ribeiro, Daniela Sachs, Leandro Rocha, Fabio Aguiar-Alves
Summary: In this study, the Hypericum brasiliense extract exhibited bactericidal activity against a multidrug-resistant S. aureus strain and inhibited biofilm formation. These promising results suggest that Hypericum brasiliense extract could be a strong candidate for treating S. aureus infections, including anti-biofilm therapy.
NATURAL PRODUCT RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Rupam Biswas, Bina Kumari Singh, Debajyoti Dutta, Amit Basak, Amit Kumar Das
BIOPHYSICAL CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
Deb Ranjan Banerjee, Charles E. Deckard, Meagan B. Elinski, Meridith L. Buzbee, Wesley Wei Wang, James D. Batteas, Jonathan T. Sczepanski
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Article
Multidisciplinary Sciences
Prabir Kumar Das, Rupam Biswas, Nazma Anjum, Amit Kumar Das, Mrinal K. Maiti
SCIENTIFIC REPORTS
(2018)
Article
Biochemistry & Molecular Biology
Rupam Biswas, Bina Kumari Singh, Debajyoti Dutta, Prabir Kumar Das, Mrinal Kumar Maiti, Amit Basak, Amit Kumar Das
Article
Biochemistry & Molecular Biology
Madhuparna Bose, Sudipta Bhattacharyya, Rupam Biswas, Amlan Roychowdhury, Atanu Bhattacharjee, Ananta Kumar Ghosh, Amit Kumar Das
Article
Chemistry, Multidisciplinary
Charles E. Deckard, Deb Ranjan Banerjee, Jonathan T. Sczepanski
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Article
Multidisciplinary Sciences
Deb Ranjan Banerjee, Charles E. Deckard, Yu Zeng, Jonathan T. Sczepanski
SCIENTIFIC REPORTS
(2019)
Article
Chemistry, Physical
Subhabrata Mabhai, Malay Dolai, Surya Kanta Dey, Anamika Dhara, Sujata Maiti Choudhury, Bhriguram Das, Satyajit Dey, Atanu Jana, Deb Ranjan Banerjee
Summary: The study successfully synthesized a new luminescent sensor that can detect three metal ions with high sensitivity and selectivity. The different effects of different metal ions allowed for efficient recognition and detection of Al3+, Cr3+, and Cu2+.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Bina K. Singh, Rupam Biswas, Amit Basak, Amit K. Das
Summary: The study elucidates the mechanism of thiocarbamide-containing compounds on the mycobacterial FASII pathway, particularly dehydratase HadAB, and identifies SPA0355 as a potential drug candidate. Additionally, the crypto-ACP method provides insights into the altered substrate binding capability of HadAB, associated with the inhibition of its AcpM-mediated functionality.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
(2021)
Article
Biochemistry & Molecular Biology
Bina Kumari Singh, Rupam Biswas, Sudipta Bhattacharyya, Amit Basak, Amit K. Das
Summary: Understanding the molecular strategies used by Mycobacterium tuberculosis (Mtb) in regulating FAS-II is crucial in halting tuberculosis progression. This study investigates the presence of two sets of dehydratase genes in Mtb and reveals the structural details and substrate regulatory mechanisms of the enzymes involved in the FAS-II pathway. Mutational studies and simulations provide evidence for the molecular mechanisms underlying the differential binding affinity of acyl carrier protein from Mtb with the dehydratases.
Article
Chemistry, Organic
Bina K. Singh, Monisha Singha, Shyam Basak, Rupam Biswas, Amit K. Das, Amit Basak
Summary: By conducting experiments and in vitro studies, we have successfully demonstrated the interaction between thioacetazone and multiple enzymes, further confirming these enzymes as targets for thioacetazone. This has important implications for the development of new thioacetazone analogues with fewer side effects.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Abhisek Jana, Rahul Naga, Sougata Saha, Deb Ranjan Banerjee
Summary: This study conducted computational investigations to find novel and safer inhibitors against G9a, an excellent epigenetic target. Through screening and comparative analysis, a lead inhibitor with better binding efficacy and a safer ADMET profile was identified. The results were further validated using molecular dynamics simulation and binding energy calculation. This study represents the first attempt of in silico screening of a large natural compound library against G9a.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Abhisek Jana, Rahul Naga, Sougata Saha, Christian Grinan-Ferre, Deb Ranjan Banerjee
Summary: In this study, a new natural lead against Protein Lysine Methyltransferase 2 (EHMT2/G9a) was identified using a blended ligand and structure-based pharmacophore screening approach. EHMT2/G9a is associated with cancer, Alzheimer's, and aging, and is considered an emerging drug target. Two pharmacophores, based on the common features of known inhibitors and the interaction profile of crystal structures, were developed and validated. These pharmacophores were used in combination to screen over 741,543 compounds. The screening process also included tests for drug-likeness and toxicity, and the potential inhibitors were further analyzed through docking, simulation, and comparative analysis.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Medicinal
Abhisek Jana, Aina Bellver-Sanchis, Christian Grinan-Ferre, Deb Ranjan Banerjee
Summary: In this study, we report for the first time the inhibition of G9a/EHMT2 and the anti-Alzheimer's activities of the drug raltitrexed. Raltitrexed inhibits G9a directly and reduces the levels of H3K9me2/ H3K9 in an AD transgenic worm model. Furthermore, raltitrexed exhibits a safe toxicity/function range and enhances locomotive function in worms, while reducing amyloid beta aggregates.
ACS MEDICINAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Abhisek Jana, Tarun Roy, Sarbajit Layek, Subhas Ghosal, Deb Ranjan Banerjee
Summary: Drug discovery lags behind vaccine discovery in the fight against COVID-19. This study identified three potential natural quinazoline alkaloids as inhibitors of M-pro through extensive computational analysis.
JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Shuang Mei, Su Jiang, Yuting Wang, Han Jing, Peng Yang, Miao-Miao Niu, Jindong Li, Kai Yuan, Yan Zhang
Summary: This study identifies a dual-targeting peptide, AP-1, that effectively inhibits variants of concern (VOCs) of SARS-CoV-2 without impairing host cell viability. The findings suggest that AP-1 could be a promising broad-spectrum agent for treating emerging VOCs of SARS-CoV-2.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Hyeonjun Lee, Ju Yeon Lee, Hyunsoo Jang, Hye Young Cho, Minhee Kang, Sang Hyun Bae, Suin Kim, Eunji Kim, Jaebong Jang, Jin Young Kim, Young Ho Jeon
Summary: By using liquid chromatography-tandem mass spectrometry and nuclear magnetic resonance experiments, we identified new chemical moieties that bind to the target sites of the protein of interest, allowing for reversible binding and protein degradation. This method has the potential to expand the application of PROTAC technology.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Yingying Li, Xiyou Du, Xinru Kong, Yuelin Fang, Zhijing He, Dongzhu Liu, Hang Wu, Jianbo Ji, Xiaoye Yang, Lei Ye, Guangxi Zhai
Summary: This study proposes a novel nanoplatform based on the autophagy cascade to overcome the obstacles in chemo-immunotherapy. The platform combines chemotherapy and starvation therapy to initiate pro-death autophagy and enhance antigen presentation, while also remodeling the immunosuppressive tumor microenvironment. Furthermore, the study discovers a new therapeutic direction for the respiration inhibitor 3-bromopyruvic acid (3BP) in cancer treatment. Overall, this study offers an opportunity to improve antitumor efficacy and boost immune responses.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Bingsi Wang, Mingxu Ma, Yusen Dai, Pengfei Yu, Liang Ye, Wenyan Wang, Chunjie Sha, Huijie Yang, Yingjie Yang, Yunjing Zhu, Lin Dong, Shujuan Wei, Linlin Wang, Jingwei Tian, Hongbo Wang
Summary: Breast cancer is a common malignant tumor in women, and drug resistance remains a clinical challenge. In this study, a novel compound, G-5b, was developed with potent antagonistic and degradation activities comparable to the current drug fulvestrant. G-5b also showed improved stability and solubility. Mechanistically, G-5b engages the proteasome pathway to degrade ER, inhibiting the ER signaling pathway and inducing apoptosis and cell cycle arrest. In animal models, G-5b exhibited superior pharmacokinetics and pharmacodynamics properties. Overall, G-5b is a promising long-acting SERD worthy of further investigation and optimization.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Karoline B. Waitman, Larissa C. de Almeida, Marina C. Primi, Jorge A. E. G. Carlos, Claudia Ruiz, Thales Kronenberger, Stefan Laufer, Marcia Ines Goettert, Antti Poso, Sandra V. Vassiliades, Vinicius A. M. de Souza, Monica F. Z. J. Toledo, Neuza M. A. Hassimotto, Michael D. Cameron, Thomas D. Bannister, Leticia Costa-Lotufo, Joa o A. Machado-Neto, Mauricio T. Tavares, Roberto Parise-Filho
Summary: A series of hybrid inhibitors combining pharmacophores of known kinase inhibitors and benzohydroxamate HDAC inhibitors were synthesized and evaluated for their anticancer activity and pharmacokinetic properties. Compounds 4d-f exhibited promising cytotoxicity against hematological cells and moderate activity against solid tumor models. Compound 4d showed potent inhibition of multiple kinase targets and had stable interactions with HDAC and members of the JAK family. These compounds showed selective cytotoxicity with minimal effects on non-tumorigenic cells and favorable pharmacokinetic profiles.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Michal Sulik, Diana Fontinha, Dietmar Steverding, Szymon Sobczak, Michal Antoszczak, Miguel Prudencio, Adam Huczynski
Summary: This study describes the synthesis of the first-in-class ivermectin derivatives obtained through derivatization of the C13 position, along with the unexpected rearrangement of the macrolide ring. These derivatives show potential for antiparasitic activity and are important for the development of new antiparasitic agents.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Jun Liu, Qiu-Xian Chen, Wen-Fu Wu, Dong Wang, Si -Yu Zhao, Jia-Hao Li, Yi-Qun Chang, Shao-Gao Zeng, Jia-Yi Hu, Yu-Jie Li, Jia-Xin Du, Shu-Meng Jiao, Hai-Chuan Xiao, Qiang Zhang, Jun Xu, Jian-Fu Zhao, Hai -Bo Zhou, Yong-Heng Wang, Jian Zou, Ping-Hua Sun
Summary: A new anti-infective drug strategy has been discovered to attenuate virulence and modulate inflammation caused by drug-resistant Pseudomonas aeruginosa infections. Compound 5f inhibits biofilm formation, macrophage migration, and inflammatory response induced by P. aeruginosa, showing potential as a novel candidate against drug-resistant infections.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Liuzeng Chen, Ke Wang, Lingyun Wang, Wei Wang, Lifan Wang, Jia Li, Xiaohan Liu, Mengya Wang, Banfeng Ruan
Summary: In this study, a series of novel anti-inflammatory compounds were designed and synthesized based on the natural product pterostilbene skeleton. Among them, compound 8 showed the highest activity and exhibited its effects through inhibition of pro-inflammatory cytokines by blocking the NF-KB/MAPK signaling pathway. Compound 8 also demonstrated a good relieving effect on acute colitis in mice and showed good safety in acute toxicity experiments.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Si-Min Liang, Gui-Bin Liang, Hui-Ling Wang, Hong Jiang, Xian-Li Ma, Jian-Hua Wei, Ri-Zhen Huang, Ye Zhang
Summary: A series of novel multi-target antitumor agents were designed, synthesized, and evaluated. Some compounds exhibited significant antitumor activity and one compound showed excellent efficacy, limited toxicity, and low resistance. Further mechanism studies revealed that the compound exerted antitumor effects through multiple pathways.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
