Article
Pharmacology & Pharmacy
Yandra Y. M. Marinho, Eric Aian P. Silva, Jeferson Y. S. Oliveira, Danillo M. Santos, Bruno S. Lima, Diego S. Souza, Fabricio N. Macedo, Anna C. R. S. Santos, Adriano A. S. Araujo, Carla M. L. Vasconcelos, Lucas A. B. O. Santos, Marcus V. A. Batista, Jullyana S. S. Quintans, Lucindo J. Quintans-Junior, Valter J. de Santana-Filho, Andre S. Barreto, Marcio R. V. Santos
Summary: This study prepared and characterized an inclusion complex of D-LIM and HP-beta-CD and evaluated its cardiovascular effects in an animal model of arrhythmia. The results demonstrated that the D-LIM + HP-beta-CD complex significantly reduced arrhythmias, decreased the duration of arrhythmias, and prevented tachycardia.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2022)
Article
Chemistry, Physical
Calin G. Floare, Mircea Bogdan, Maria Tomoaia-Cotisel, Aurora Mocanu
Summary: In this study, the complexation between DFOB and beta-CD in solution was investigated using 1H NMR spectroscopy, confirming inclusion compound formation. A 1:1 stoichiometry and association constant were determined, and theoretical molecular docking study was performed to ascertain possible conformations of the inclusion complex.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Food Science & Technology
Sheng-qi Rao, Mei-ling Sun, Yuan Hu, Xiang-feng Zheng, Zhen-quan Yang, Xin-an Jiao
Summary: Carvacrol was embedded in cyclodextrin and prepared into liposomes with different concentrations. The e-polylysine coated liposomes showed larger particle size, higher encapsulation efficiency, slower release rate, and stronger antibacterial activity. The findings suggest potential applications in antibacterial packaging design.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Applied
Cui Sun, Jinping Cao, Yue Wang, Lingxia Huang, Jiebiao Chen, Jue Wu, He Zhang, Yunyi Chen, Chongde Sun
Summary: In this study, CAR/HP beta CD-IC inclusion complex was successfully synthesized and used to fabricate pectin-based edible coatings. The inclusion complex showed strong antifungal activities and the edible coating suppressed the growth of fungi as an active packaging material.
FOOD HYDROCOLLOIDS
(2022)
Article
Chemistry, Medicinal
Qonita Kurnia Anjani, Juan Dominguez-Robles, Emilia Utomo, Maria Font, Maria Cristina Martinez-Oharriz, Andi Dian Permana, Alvaro Carcamo-Martinez, Eneko Larraneta, Ryan F. Donnelly
Summary: This study investigated the inclusion complexation of rifampicin (RIF) with different types of cyclodextrins (CDs) in aqueous solutions at various pH values. The results showed that β-CD and γ-CD can enhance the solubility of RIF and increase its release percentage in vitro. Furthermore, the antibacterial activity of RIF-CD complexes against Staphylococcus aureus and methicillin-resistant Staphylococcus aureus was lower compared to pure RIF suspension at pH 7.0.
Article
Pharmacology & Pharmacy
Abdul Ahad, Yousef A. Bin Jardan, Mohd Zaheen Hassan, Mohammad Raish, Ajaz Ahmad, Abdullah M. Al-Mohizea, Fahad Al-Jenoobi
Summary: The aim of this study was to improve the solubility and dissolution rate of eprosartan mesylate by preparing an inclusion complex with beta-cyclodextrin using microwave technique. The inclusion complex showed better drug release profile compared to the physical mixture or pure drug, indicating its potential to improve the solubility and bioavailability of eprosartan. Molecular modeling study confirmed the good affinity of eprosartan to beta-cyclodextrin. This research provides valuable insights into enhancing the solubility of eprosartan.
Article
Chemistry, Applied
Pinal Chaudhari, Sumit Birangal, Nimisha Mavlankar, Asish Pal, Lakshmi Sruthi Mallela, Sanhita Roy, Arun K. Kodoth, Vivek Ghate, Madhavan Nampoothiri, Shaila A. Lewis
Summary: In this study, sulfobutylether-beta-cyclodextrin based complexes were developed to improve the solubility and corneal permeation of Cyclosporine A (CsA) for the treatment of dry eye disease. The complexes showed improved dissolution and transcorneal permeation, and demonstrated non-irritancy and non-toxicity. The in vivo treatment with the complexes showed better management of dry eye.
CARBOHYDRATE POLYMERS
(2022)
Article
Green & Sustainable Science & Technology
Shuang Gao, Lei Zong, Yuhang Zhang, Yang Zhang, Xinyu Guo, Guanhua Guo, Lixia Zhao, Fei Ye, Ying Fu
Summary: Pentachloronitrobenzene/hydroxypropyl-γ-cyclodextrin inclusion complex nanofibers (PCNB/HPfiCDIC-NF) were prepared via polymer-free electrospinning to establish a rapidly dissolving water-based drug delivery system. The formation of PCNB/HPfiCD-IC enhanced the water solubility and thermal stability of PCNB. The antifungal activity of PCNB/HPfiCD-ICNF was 2.13 times higher than that of pure PCNB. The formulation of PCNB/HPfiCD-IC-NF could effectively improve the solvability, thermal stability, and antifungal activity of PCNB.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Horticulture
Antonio Lopez-Gomez, Alejandra Navarro-Martinez, Gines Benito Martinez-Hernandez
Summary: This study investigates the response of the antioxidant system in lemons to the treatment of plant essential oils. The results show that the treatment increases the antioxidant enzyme activity and vitamin C content in the fruit peel, enhancing its antioxidant activity. The active packaging also controls microbial growth and reduces decay incidence without negatively affecting the quality of the lemons. The nutritional and bioactive content of the lemon pulp increases after commercialization, particularly in samples treated with the active packaging.
SCIENTIA HORTICULTURAE
(2023)
Article
Chemistry, Multidisciplinary
Wei Ming Liu, Hui Yun Zhou, Li Jun Ren, Jia Jia Yang, Pei Yan Hao, Jia Nan Tong, Ya Wei Chen, Jun Liang Chen, Hyun Jin Park
Summary: In this study, hydrosoluble Lysine-modified beta-cyclodextrin (Lys-beta-CD) was synthesized and used to prepare BBH-Lysine-beta-cyclodextrin inclusion complexes (BBH/Lys-beta-CD IC). The IC exhibited an irregular sheet and layered structure, and BBH entered the Lys-beta-CD cavity through non-covalent interactions. The slow release behavior of BBH from the IC suggests its potential applications in drug delivery and biomedical fields.
Article
Chemistry, Physical
Shuang Gao, Xiaoming Li, Jingyu Jiang, Lixia Zhao, Ying Fu, Fei Ye
Summary: The electrospun thiophanate methyl/hydroxypropyl-beta-cyclodextrin (TM/HP β CD) inclusion complex nanofibers demonstrated enhanced water solubility, thermal stability, and antifungal activity, offering potential for environmentally safe application of thiophanate methyl (TM).
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Pharmacology & Pharmacy
M. Tamizhmathy, Ujala Gupta, Arti Shettiwar, Gogikar Shiva Kumar, Sandeep Daravath, Mayur Aalhate, Srushti Mahajan, Indrani Maji, Anitha Sriram, Chandrima Modak, A. N. Rajalakshmi, Amol G. Dikundwar, Nandkumar Doijad, Santosh Kumar Guru, Pankaj Kumar Singh
Summary: Abiraterone acetate, a steroid-based anti-androgen molecule, was approved in 2011 for the treatment of metastatic prostate cancer. Its limited solubility and lipophilic nature hinder its therapeutic applications. In this study, cyclodextrins were used to improve the solubility and stability of Abiraterone acetate. The freeze-drying assisted inclusion complex of ABT/2-hydroxypropyl-I3-cyclodextrin showed improved physicochemical properties and demonstrated higher bioavailability in vivo.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Applied
Hao Yin, Chenxiao Wang, Jin Yue, Yun Deng, Shunshan Jiao, Yanyun Zhao, Jie Zhou, Ting Cao
Summary: In this study, cyclodextrin was used to encapsulate 1,8-cineole to enhance the thermal stability of essential oils. The optimal conditions for encapsulation were identified using the response surface methodology, and the release behavior and kinetics of the inclusion complexes were investigated.
FOOD HYDROCOLLOIDS
(2021)
Article
Biochemistry & Molecular Biology
Hong-Ning Liu, Xiao-Xia Jiang, Abid Naeem, Fu-Cai Chen, Lu Wang, Yan-Xia Liu, Zhe Li, Liang-Shan Ming
Summary: The aim of this study was to improve the solubility and stability of Mosla Chinensis essential oil by forming an inclusion complex with beta-cyclodextrin. Experimental techniques and molecular modeling were used to investigate the inclusion complex formation process. The results showed that the optimal encapsulation efficiency and loading capacity of the essential oil in the inclusion complexes were 86.17% and 8.92%, respectively. Molecular modeling was also used to study the mechanisms involved in molecular inclusion complexation.
Article
Multidisciplinary Sciences
Yumeng Liu, Luo Weng, Ying Lin, Daijie Lin, Linsheng Xie, Tian Zhong
Summary: This study developed a biodegradable and safe preservative, a beta-cyclodextrin inclusion complex containing carvacrol, which was used for non-contact fumigation of fresh-cut Shatangju mandarin slices to address the challenges of preservation and microorganism control. Characterization methods confirmed the formation of the encapsulated structure of the inclusion complex. The preservative demonstrated inhibitory effects on spoilage-causing Penicillium digitatum both in vitro and in vivo, with significantly lower incidence and severity compared to pure carvacrol treatment. Fruit freshness parameters and sensory evaluation showed that the inclusion complex treatment effectively maintained fruit quality and achieved high consumer acceptance.
Article
Polymer Science
Daniele N. Gouveia, Adriana G. Guimaraes, Marlange A. Oliveira, Thallita K. Rabelo, Licia T. S. Pina, Wagner B. R. Santos, Iggo K. S. Almeida, Tatianny A. Andrade, Mairim Russo Serafini, Bruno S. Lima, Adriano A. S. Araujo, Jose Evaldo R. Menezes-Filho, Artur Santos-Miranda, Luciana Scotti, Marcus Tullius Scotti, Henrique Douglas Melo Coutinho, Jullyana S. S. Quintans, Raffaele Capasso, Lucindo J. Quintans-Junior
Summary: Alpha-terpineol nanocapsules (TP-LNC) show potential as a candidate drug for treating chemotherapy-induced peripheral neuropathy. The study finds that TP-LNC has stability and encapsulation efficiency, and can prolong the antihyperalgesic effect when combined with free TP. Furthermore, TP has molecular interactions with different calcium channels, reducing calcium currents.
Letter
Public, Environmental & Occupational Health
Paulo Ricardo Martins-Filho, Raquel Souza Marques, Carolina Santos Souza Tavares, Adriano Antunes de Souza Araujo, Lucindo Jose Quintans-Junior
DISASTER MEDICINE AND PUBLIC HEALTH PREPAREDNESS
(2023)
Article
Public, Environmental & Occupational Health
Adriano Antunes de Souza Araujo, Lucindo Jose Quintans-Junior, Luana Heimfarth, Dulce Marta Schimieguel, Cristiane Bani Correa, Tatiana Rodrigues de Moura, Rafael Ciro Marques Cavalcante, Renata Grespan, Jullyana de Souza Siqueira Quintans, Danillo Menezes dos Santos, Danilo Nobre da Silva, Yrna Lorena Matos de Oliveira, Mariana Nobre Farias de Franca, Marcilio da Conceicao Silva, Darla Lorena Freitas de Sa, Fernanda Oliveira de Carvalho, Mercia Feitosa de Souza, Marco Aurelio de Oliveira Goes, Victor Santana Santos, Paulo Ricardo Martins-Filho
Summary: This study analyzed the dynamics of SARS-CoV-2 seroprevalence during the first year of the COVID-19 pandemic in Sergipe State, Northeast Brazil. The results showed an increase in seroprevalence during the second wave of the pandemic, with rapid spread of COVID-19 from metropolitan areas to the countryside.
PATHOGENS AND GLOBAL HEALTH
(2023)
Article
Instruments & Instrumentation
Rhayssa de Oliveira Nonato, Anna Paula Krawczyk-Santos, Gleidson Cardoso, Ana Carolina Kogawa, Karina Ricommini, Adley Antonini Neves de Lima, Luana Heimfarth, Lucindo Jose Quintans-Junior, Marcilio Cunha-Filho, Stephania Fleury Taveira, Ricardo Neves Marreto
Summary: This study investigated the use of hot-melt extrusion (HME) processing for molecular encapsulation of a multi-component natural product, ginger oleoresin (OR), with cyclodextrins. The results showed that HME complexes exhibited better solubility, dissolution, and anti-inflammatory activity compared to solvent-based complexes. These findings suggest that HME can be a useful method for encapsulating complex natural products containing volatile and thermolabile substances.
DRUG DELIVERY AND TRANSLATIONAL RESEARCH
(2023)
Review
Public, Environmental & Occupational Health
F. Valenca-Feitosa, G. A. C. Carvalho, T. S. Alcantara, L. J. Quintans-Junior, V. Alves-Conceicao, D. P. Lyra-Jr
Summary: This systematic review identified the health outcomes influenced by pharmaceutical clinical services (PCS) in cancer patients, including clinical outcomes (adverse drug reaction, drug-related problem resolution, adherence, and pain), humanistic outcomes (quality of life and satisfaction), and economic outcomes (reduction of treatment costs for cancer).
RESEARCH IN SOCIAL & ADMINISTRATIVE PHARMACY
(2023)
Article
Chemistry, Medicinal
Isadora Silva Luna, Thalisson Amorim de Souza, Marcelo Sobral da Silva, Klinger Antonio da Franca Rodrigues, Luciana Scotti, Marcus Tullius Scotti, Francisco Jaime Bezerra Mendonca-Junior
Summary: In this study, a series of 2-amino-thiophene (2-AT) derivatives were virtually screened and evaluated using cheminformatics tools. Eleven potential anti-leishmanial 2-AT derivatives were identified, which exhibited good activity against the parasite and low cytotoxicity. Ligand-based virtual screening proved to be effective in selecting candidates for the development of new anti-leishmanial agents, and 2-AT derivatives showed promise as hit compounds.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Pharmacology & Pharmacy
Guilherme Rodolfo Souza de Araujo, Odeanny Vitoria Azevedo Lima, Joao Pedro Barreto Neujahr, Saulo Santos Matos, Thalisson Amorim de Souza, Aline Martins dos Santos, Marlus Chorilli, Adriano Antunes de Souza Araujo, Marcelo Cavalcante Duarte, Joyce Kelly Marinheiro da Cunha Gonsalves, Rogeria de Souza Nunes, Marcio Roberto Viana dos Santos, Victor Hugo Vitorino Sarmento, Ana Amelia Moreira Lira
Summary: The study evaluated different Liquid Crystal Mesophases (LCM) as transdermal drug delivery systems (TDDS) for lipophilic drug nifedipine (NFD). The formulations composed of water, Citrus sinensis essential oil (CSEO), PPG-5-CETETH-20, and Olive oil ester PEG-7 were characterized by various techniques. The results showed that LCMs can adhere to the skin and achieve improved drug delivery, making them promising TDDS for lipophilic drugs.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Biochemistry & Molecular Biology
Gopalsamy Rajiv Gandhi, Chelankara Suresh Sharanya, Abhithaj Jayanandan, Madathilkovilakath Haridas, Varghese Edwin Hillary, Sathiyabama Rajiv Gandhi, Gurunagarajan Sridharan, Rengaraju Sivasubramanian, Alan Bruno Silva Vasconcelos, Monalisa Martins Montalvao, Stanislaus Antony Ceasar, Natalia Ferreira de Sousa, Luciana Scotti, Marcus Tullius Scotti, Ricardo Queiroz Gurgel, Lucindo Jose Quintans
Summary: This study screened 18 flavonoids and 8 volatile components from Citrus sinensis peel and found that flavonoids had higher binding probabilities to selected anti-cancer drug targets than volatile components, indicating their potential in developing effective cell proliferation inhibitors. Chlorogenic acid showed the highest binding affinity to important anti-cancer targets iNOS, MMP-9, and p53, suggesting its significant therapeutic potential in cancer treatment with consistent binding mode to multiple drug targets.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Review
Biochemistry & Molecular Biology
Fernando Ferreira Leite, Natalia Ferreira de Sousa, Bruno Hanrry Melo de Oliveira, Gabrielly Diniz Duarte, Maria Denise Leite Ferreira, Marcus Tullius Scotti, Jose Maria Barbosa Filho, Luis Cezar Rodrigues, Ricardo Olimpio de Moura, Francisco Jaime Bezerra Mendonca-Junior, Luciana Scotti
Summary: This study investigated the role of natural and synthetic chalcones and their anticancer activity in vitro reported from 2019 to 2023. The analysis found that the presence of polar radicals such as hydroxyl and methoxyl contributed to the anticancer activity of chalcones derivatives. The results hope to aid in the development of effective drugs to inhibit colon adenocarcinoma.
Review
Multidisciplinary Sciences
Sathiyabama Rajiv Gandhi, Gopalsamy Rajiv Gandhi, Poovathumkal James Antony, Varghese Edwin Hillary, Stanislaus Antony Ceasar, Govindasamy Hariharan, Yi Liu, Ricardo Queiroz Gurgel, Jullyana de Souza Siqueira Quintans, Lucindo Jose Quintans Junior
Summary: This study systematically reviewed the literature on the therapeutic potentials and molecular mechanisms of the Miconia genus, including in vivo and in vitro studies. The results showed that Miconia species have various biological activities such as anti-inflammatory, anticancer, analgesic, antibacterial, cytotoxic, and antioxidant properties. Miconia albicans and Miconia rubiginosa were the most frequently studied species and showed significant efficacy in treating pain and inflammation.
Article
Chemistry, Medicinal
Poliana Gomes de Abrantes, Paloma Gomes de Abrantes, Damiao Alves dos Santos Silva, Renata Rodrigues Magalhaes, Paulo Bruno Norberto da Silva, Gardenia Carmen Gadelha Militao, Renata Priscila Barros de Menezes, Luciana Scotti, Marcus Tullius Scotti, Juliana Alves Vale
Summary: This work investigated solvents for the catalyst-free synthesis of 2-amino-4H-chromenes from salicylaldehydes and malononitrile. The use of ethanol under reflux conditions resulted in the production of several 2-amino-4H-chromenes with high yields and short reaction time. Virtual screening and in vitro assays demonstrated the high potential of compound 5e as an antitumor agent, suggesting a possible mechanism of action involving inhibition of the mutant T315l Abl protein. This study provides a promising starting point for the development of new antitumor agents.
MEDICINAL CHEMISTRY RESEARCH
(2023)
Article
Biochemistry & Molecular Biology
Mayara dos Santos Maia, Francisco Jaime Bezerra Mendonca-Junior, Gabriela Cristina Soares Rodrigues, Adriano Soares da Silva, Niara Isis Pereira de Oliveira, Pablo Rayff da Silva, Cicero Francisco Bezerra Felipe, Ana Pavla Almeida Diniz Gurgel, Anuraj Nayarisseri, Marcus Tullius Scotti, Luciana Scotti
Summary: Cancer, a complex disease, is on the rise. Lignans, known for their anticancer properties, pose challenges in identifying specific subclasses with antitumor activity due to their structural diversity. This study aimed to explore the association between lignan subclasses and antitumor activity while considering the genetic profile of targeted variants. Predictive models were built for different targets, and molecular docking was performed to evaluate the binding energy of lignans with the best predicted biological activity. The results highlighted dibenzocyclooctadiene, furofuran, and aryltetralin subclasses as exhibiting strong anticancer activity.
Letter
Biology
Lucindo J. Quintans-Junior, Adriano A. S. Araujo, Roberio R. Silva, Paulo R. Martins-Filho
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
