Article
Virology
Thamir A. Alandijany, Mai M. El-Daly, Ahmed M. Tolah, Leena H. Bajrai, Aiah M. Khateb, Isra M. Alsaady, Sarah A. Altwaim, Amit Dubey, Vivek Dhar Dwivedi, Esam I. Azhar
Summary: The World Health Organization (WHO) has identified the Zika virus (ZIKV) as a significant risk to public health. Current treatments and vaccines are not available, so it is crucial to develop an efficient therapeutic molecule. A computational search was conducted to identify compounds that can bind and block the activity of ZIKV NS5 RNA-dependent RNA polymerase (RdRp). Compound 127042987 showed the highest binding affinity and stable interaction with the protein, making it a potential therapeutic option to prevent Zika virus infection.
Article
Biochemistry & Molecular Biology
Prabhu Chandra Mishra, Amer M. Alanazi, Siva Prasad Panda, Aftab Alam, Amit Dubey, Saurabh Kumar Jha, Mohammad Amjad Kamal
Summary: In this study, computer-based drug discovery approaches were used to identify potential inhibitors against the RNA-dependent RNA polymerase (RdRp) of the Zika virus. Virtual screening and molecular docking simulations were employed to evaluate the binding affinities and stability of selected natural compounds. The results showed that these compounds formed stable interactions within the active site of the RdRp protein and exhibited potential for sustained inhibition.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Marcelo Chagas, Willian Rocha, Adolfo Moraes
Summary: MTase domain of NS5 protein in flaviviruses plays a fundamental role in viral replication and its inhibition is a strategy for antiviral development. The dynamic changes related to ligand binding and methyl transfer reaction were investigated by studying the structural dynamics of ZIKV NS5 MTase domain free and bound to GTP and SAM. The binding of GTP and SAM induced allostery in the RNA binding site, showing the complexity of MTase conformational equilibrium and its impact on viral RNA recognition.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Rui Zhou, Quanjie Li, Bo Yang, Yanni Quan, Yitong Liu, Meichen Liu, Yongxin Zhang, Guangzhi Shan, Zhourong Li, Jing Wang, Yanping Li, Shan Cen
Summary: This study screened FDA-approved antihistamine drugs and identified mebhydrolin napadisylate (MHL) as a potent inhibitor of Zika virus (ZIKV) infection. The mechanism of action involves MHL inhibiting the RNA-dependent RNA polymerase (RdRp) activity of ZIKV. Molecular docking analysis also suggests that MHL interacts with key residues at the active site of ZIKV NS5 RdRp. These findings highlight the potential of MHL as a promising clinical therapeutic for ZIKV.
BIOORGANIC CHEMISTRY
(2022)
Article
Medicine, General & Internal
Eric Osoro, Irene Inwani, Cyrus Mugo, Elizabeth Hunsperger, Jennifer R. Verani, Victor Omballa, Dalton Wamalwa, Chulwoo Rhee, Ruth Nduati, John Kinuthia, Hafsa Jin, Lydia Okutoyi, Dufton Mwaengo, Brian Maugo, Nancy A. Otieno, Harriet Mirieri, Mufida Shabibi, Peninah Munyua, M. Kariuki Njenga, Marc-Alain Widdowson
Summary: The incidence of Zika virus infection was high in a pregnancy cohort in coastal Kenya, but there was little evidence of Zika virus transmission. The prevalence of severe microcephaly among newborns was higher compared to estimates from facility-based studies in Europe and Latin America.
Article
Biochemistry & Molecular Biology
Andrew Kodani, Kristeene A. Knopp, Elizabeth Di Lullo, Hanna Retallack, Arnold R. Kriegstein, Joseph L. DeRisi, Jeremy F. Reiter
Summary: ZIKV infection disrupts centrosome organization and affects the localization and stability of centrosomal proteins, as well as the function of regulators of the innate immune response, thereby tempering the immune response.
Article
Biochemistry & Molecular Biology
Nasir Ahmad, Syed Lal Badshah, Muhammad Junaid, Ashfaq Ur Rehman, Akhtar Muhammad, Khalid Khan
Summary: The study utilized newly isolated flavonoid analogs to dock against the NS1 protein, showing favorable binding energies and validated the docking data through simulations. The results indicated that these flavonoid analogs can inhibit the hexamerization of NS1, thereby preventing Zika virus replication.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Ilana C. L. Magalhaes, Livia E. C. Marques, Pedro F. N. Souza, Nicolas M. Girao, Maestre M. A. Herazo, Helen P. S. Costa, Mauricio F. vanTilburg, Eridan O. P. T. Florean, Rosa F. Dutra, Maria Izabel F. Guedes
Summary: The study evaluated three ZIKV recombinant proteins for the detection of ZIKV infection. Among the three proteins, NS1 showed the best diagnostic result for differentiation of ZIKV and DENV infections in serum samples. The recombinant NS1 demonstrated high sensitivity and specificity in the IgM assay, making it a potential tool for serological diagnosis of ZIKV in Brazil.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Multidisciplinary Sciences
Jiqin Wu, Xinyu Wang, Qiaojie Liu, Guoliang Lu, Peng Gong
Summary: This study presents crystal structures of the RNA-dependent RNA polymerase complex from dengue virus serotype 2, revealing a dramatic refolding of the priming element during elongation and confirming its essential interactions with the RNA duplex backbone for enzyme stability. Enzymology data further suggest that the critical refolding transition of the priming element likely occurs after the synthesis of a 4- to 5-nucleotide product.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Infectious Diseases
Adeolu Aromolaran, Katiaci Araujo, Joseph B. Ladines-Lim, Nivison Nery Jr, Mateus S. do Rosario, Valmir N. Rastely Jr, Gracinda Archanjo, Dina Daltro, Gustavo Baltazar da Silveira Carvalho, Kleber Pimentel, Joao Ricardo Maltez de Almeida, Isadora Cristina de Siqueira, Hugo C. Ribeiro, Jamary Oliveira-Filho, Daiana de Oliveira, Daniele F. Henriques, Sueli G. Rodrigues, Pedro F. da Costa Vasconcelos, Antonio R. P. de Almeida, Gielson A. Sacramento, Jaqueline S. Cruz, Manoel Sarno, Bruno de Paula Freitas, Adriana Mattos, Ricardo Khouri, Mitermayer G. Reis, Albert I. Ko, Federico Costa
Summary: This study describes the differences in clinical presentation and disease burden of congenital Zika syndrome-associated microcephaly between two hospitals in Salvador, Brazil, which serve patients of different socioeconomic status. The results show that pregnant women at a low socioeconomic status hospital had a higher rate of Zika virus exposure compared to women at a high socioeconomic status hospital. However, after controlling for maternal Zika virus exposure, both hospitals had similar prevalence of infants with CZS-associated microcephaly.
INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES
(2022)
Article
Pharmacology & Pharmacy
Qin Hui Li, Kenneth Kim, Sujan Shresta
Summary: Seven years after the onset of the Zika virus epidemic, longitudinal studies have shown that children infected in utero without severe birth defects exhibit motor skill deficits at up to 3 years of age. The long-term health and socioeconomic impacts of fetal Zika virus infection seem inevitable. In the absence of vaccines or antivirals, small animal models of Zika virus transmission are essential to test antiviral strategies and understand the mechanisms of immunity at the maternal-fetal interface. The review discusses the current state of Zika virus transplacental transmission models, highlights key unanswered questions, and sets goals for the next generation of mouse models.
ANTIVIRAL RESEARCH
(2023)
Article
Biochemistry & Molecular Biology
Ahmed Mohamed, Wael Elshemey, Abdo Elfiky
Summary: Influenza viruses rely on the host transcription machinery for their viral mRNA production. This study investigates the interaction between human polymerase and the PA subunit of viral RNA polymerase, specifically focusing on the effect of dephosphorylation on the stability of the interaction. The results show a clear change in binding energy upon dephosphorylation, suggesting the potential role of the middle heptad serine-5 in these interactions.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Nirmitee Mulgaonkar, Haoqi Wang, Maria King, Sandun Fernando
Summary: The Zika virus, a significant zoonotic flavivirus, has become a global public health concern due to its rapid spread and association with neurological disorders. Previous drug discovery research has focused on three targets, but no commercially viable inhibitors have been found. This study assessed the druggability of the Zika virus precursor membrane protein (prM) and found it could be a potential target for drug discovery.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Virology
Rosa Estela Gazeta, Ana Paula Antunes Pascalicchio Bertozzi, Rita de Cassia de Aguirre Bernardes Dezena, Andrea Cristina Botelho Silva, Thamirys Cosmo Gillo Fajardo, Daniel T. Catalan, Maria de Fatima Valente Rizzo, Antonio Fernandes Moron, Antoni Soriano-Arandes, Nuria Sanchez Clemente, Tania Quintella, Dora Fix Ventura, Francisco Max Damico, Valtenice de Cassia Rodrigues de Matos Franca, Juliana Paula Gomes de Almeida, Ana Laura de Sene Amancio Zara, Lucas Castro Pires, Cohort Zika virus Jundiai, Saulo Duarte Passos
Summary: Congenital Zika virus infection can result in a wide range of clinical manifestations, including developmental delays and neurological abnormalities. Longitudinal study of high-risk pregnant women and their newborns showed that some patients may continue to experience developmental delays beyond the age of three, highlighting the importance of long-term follow-up.
Article
Chemistry, Medicinal
Paulo Ricardo Pimenta da Silva Ramos, Melina Mottin, Caroline Sprengel Lima, Leticia R. Assis, Ketllyn Zagato de Oliveira, Nathalya Cristina de Moraes Roso Mesquita, Natasha Marques Cassani, Igor Andrade Santos, Joyce Villa Verde Bastos Borba, Vinicius Alexandre Fiaia Costa, Bruno Junior Neves, Rafael Victorio Carvalho Guido, Glaucius Oliva, Ana Carolina Gomes Jardim, Luis Octavio Regasini, Carolina Horta Andrade
Summary: This study used computational approaches to screen for compounds that can inhibit ZIKV and identified pedalitin and quercetin as potential anti-ZIKV drug candidates.
Article
Cell Biology
Syed Lal Badshah, Rabiya Jehan
Summary: This research investigated the electronic and spectral properties of nepetalactones and explored their potential in the development of new derivatives and mosquito repellents.
MOLECULAR AND CELLULAR BIOCHEMISTRY
(2022)
Review
Pharmacology & Pharmacy
Manel Dhahri, Mawadda Alghrably, Hamdoon A. Mohammed, Syed Lal Badshah, Noreen Noreen, Fouzi Mouffouk, Saleh Rayyan, Kamal A. Qureshi, Danish Mahmood, Joanna Izabela Lachowicz, Mariusz Jaremko, Abdul-Hamid Emwas
Summary: Neurodegenerative diseases pose a significant public health burden globally, particularly among aging populations. Despite advances in understanding the underlying mechanisms, effective therapeutic strategies are lacking. Natural polysaccharides have shown neuroprotective and therapeutic effects, making them a potential avenue for prevention and treatment of neurodegenerative diseases.
Article
Agriculture, Multidisciplinary
Zahir Shah, Syed Lal Badshah, Arshad Iqbal, Zamarud Shah, Abdul-Hamid Emwas, Mariusz Jaremko
Summary: Freshwater macroalgae were found to contain important secondary metabolites with medicinal properties, which can be used as biopesticides, plant growth enhancers, and remedies for diseases in farm animals. The extracts also contain essential oils that can be utilized in various industrial products.
CHEMICAL AND BIOLOGICAL TECHNOLOGIES IN AGRICULTURE
(2022)
Article
Biochemistry & Molecular Biology
Ayaz Ali Sher, Arshad Iqbal, Naveed Muhammad, Syed Lal Badshah, Abdul-Hamid Emwas, Mariusz Jaremko
Summary: Gas chromatography-mass spectrometry was used to analyze the chemical composition of ethyl acetate (EAC) and dichloromethane (DCMC) fractions from Chrozophora tinctoria. Both fractions exhibited acetylcholinesterase inhibitory activity and showed laxative effects. The EAC fraction also had a better relaxing effect on intestinal muscles.
Article
Energy & Fuels
Zahir Shah, Syed Lal Badshah, Jose Luiz Francisco Alves, Jean Constantino Gomes da Silva, Arshad Iqbal
Summary: The study on slow pyrolysis of Cladophora glomerata revealed three different stages, indicating the complexity of its biomass. Kinetic and thermodynamic evaluations showed that the pyrolysis of C. glomerata is an endothermic, non-spontaneous process but proceeds towards producing bioenergy.
BIOMASS CONVERSION AND BIOREFINERY
(2022)
Article
Agricultural Engineering
Arshad Iqbal, Noreen Noreen, Muhammad Imran, Jose Luiz Francisco Alves, Jean Constantino Gomes da Silva, Syed Lal Badshah
Summary: In this study, the slow pyrolysis of Rhizoclonium hookeri was performed at different thermal rates to obtain kinetic data. The results showed that this macroalgae has bioenergy potential and is suitable for large-scale pyrolysis. Therefore, this research is of great significance for designing equipment to produce bioenergy from Rhizoclonium hookeri.
BIOMASS & BIOENERGY
(2023)
Article
Biochemistry & Molecular Biology
Bibi Kubra, Syed Lal Badshah, Shah Faisal, Mohamed Sharaf, Abdul-Hamid Emwas, Mariusz Jaremko, Mohnad Abdalla
Summary: Since 2019, the COVID-19 virus has caused a global pandemic and resulted in the deaths of millions of people worldwide. This study identified potential allosteric inhibitors of the SARS-CoV-2 main protease (Mpro) through computational methods. Docking and simulation experiments revealed four compounds that strongly bound to the predicted allosteric site of Mpro. These compounds exhibited continuous interaction with the enzyme's allosteric region throughout the simulation. Evaluation of their properties suggested that these compounds have therapeutic value. This research provides a new approach for developing novel allosteric inhibitors of SARS-CoV-2 Mpro.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Shah Faisal, Syed Lal Badshah, Mohamed Sharaf, Mohnad Abdalla
Summary: The Hantaan virus is a serious public health concern that causes hemorrhagic fever with renal syndrome. In this study, researchers targeted the RNA-dependent RNA polymerase complex of the virus for antiviral drug development. Through in-silico approaches, they identified potential inhibitors that can disrupt the enzymatic activity of the virus. The findings contribute to a better understanding of the Hantaan virus and related viruses.
MOLECULAR DIVERSITY
(2023)
Article
Biochemistry & Molecular Biology
Syed Shah Hassan, Rida Shams, Ihosvany Camps, Zarrin Basharat, Saman Sohail, Yasmin Khan, Asad Ullah, Muhammad Irfan, Javed Ali, Muhammad Bilal, Carlos M. Morel
Summary: In this study, potential drug targets for Burkholderia cepacia complex (BCC) were identified through the analysis of proteomic data. Two potential BCC targets were found using computational modeling and library screening techniques. These findings are of great significance for the development of novel therapies for BCC infections.
MOLECULAR DIVERSITY
(2023)
Article
Chemistry, Medicinal
Muhammad Imran, Arshad Iqbal, Syed Lal Badshah, Ayaz Ali Sher, Hammad Ullah, Muhammad Ayaz, Osama F. Mosa, Nada M. Mostafa, Maria Daglia
Summary: Seaweed is known for its beneficial effects on human health, and Dictyota dichotoma extracts contain various bioactive components such as proteins, fats, and carbohydrates. The extracts also contain multiple compounds, including undecane, cetylic acid, hexadecenoic acid, Z-11-, and myristic acid.
Article
Green & Sustainable Science & Technology
Chen Xinyang, Cai Di, Yang Yumiao, Sun Yuhang, Wang Binhui, Yao Zhitong, Jin Meiqing, Liu Jie, Markus Reinmoller, Syed Lal Badshah, Aneta Magdziarz
Summary: The pyrolysis behavior and reaction kinetics of bio-based polyurethane (BPU) were investigated and compared to its components enzymatic lignin (EL) and polyurethane (PU). The findings showed that the decomposition of BPU was similar to PU, but the addition of EL improved BPU's thermal resistance. Both PU and BPU released N-containing compounds during pyrolysis, but phenols and furans were detected only during BPU pyrolysis. The activation energy of BPU was determined to be 176.1 kJ mol-1, which was smaller than that of EL (298.5 kJ mol-1) and larger than that of PU (159.5 kJ mol-1).
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)