Article
Chemistry, Physical
Ola A. El-Gammal, Mohamed A. El-Nawawy, Hosni A. Gomaa, Bassam M. Ismael
Summary: A series of vanadyl complexes were synthesized using vanadyl (II) sulphate and three multidentate bisthiosemicarbazides, TSCs. The TSCs were characterized, and the complexes were analyzed by various techniques to determine their structures and properties.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
R. Durga Priyadharshini, R. Jeyashree, R. Preethi, K. N. Vennila, Kuppanagounder P. Elango
Summary: The interaction between the anti-cancer drug Palbociclib and calf-thymus DNA was investigated using various biophysical techniques. The results showed that Palbociclib intercalated into the base pairs of DNA, indicating strong binding. Molecular docking studies revealed partial intercalation of the drug between the DNA base pairs, and metadynamics simulation studies confirmed DNA cleavage induced by Palbociclib, which was further validated by gel electrophoresis experiments.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Multidisciplinary
Hamid Goudarziafshar, Somaieh Yousefi, Yunes Abbasi Tyula, Michal Dusek, Vaclav Eigner
Summary: A new binuclear copper(I) Schiff base complex was synthesized using a template method, and its unique structural features and intermolecular interactions were revealed. The complex was found to bind with CT-DNA and exhibit significant antibacterial activities.
Article
Spectroscopy
R. Durga Priyadharshini, S. Ponkarpagam, K. N. Vennila, Kuppanagounder P. Elango
Summary: In this study, the interaction between Remdesivir and calf thymus DNA (CT-DNA) was investigated. The results showed that Remdesivir binds to CT-DNA via intercalation mode. Thermodynamic parameters revealed that the binding process is spontaneous and mainly driven by electrostatic interaction.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Spectroscopy
K. Pavithra, R. Durga Priyadharshini, K. N. Vennila, Kuppanagounder P. Elango
Summary: UV-vis, fluorescence, circular dichroism and 1H NMR spectroscopic techniques were used to investigate the binding mode of Mebendazole (MBZ) drug with calf thymus DNA (CT-DNA). The results revealed that MBZ forms a complex with CT-DNA through intercalation mode, driven by hydrophobic interactions. Molecular docking analysis did not match well with the experimental results, but molecular simulation studies supported the intercalation mode binding.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemistry & Molecular Biology
Kristie D. Goodwin, Mark A. Lewis, Eric C. Long, Millie M. Georgiadis
Summary: Bleomycins are anticancer natural products that bind DNA through intercalation and hydrogen-bonding interactions. The C-terminal tail was found to play a role in directing the intercalation of the bithiazole. Specific bond rotations within the C-terminal domain of the drug were identified and may be relevant for its reorganization and ability to carry out a double-strand DNA cleavage event.
BIOORGANIC & MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Abdolhamed Shahedi, Mohammad Agha Bolorizadeh, Hassan Karimi-Maleh
Summary: An original complex with europium was synthesized and characterized using various spectroscopic and analytical methods. The study revealed the coordination mode and number of the ligands, as well as the binding properties of the complex with BSA proteins and DNA. The complex showed promising binding affinity with DNA, indicating potential antibacterial effects.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Lihong Jin, Peiyao Li, Jingyi Li, Huiru Yang, Xinglong Pan, Haiyan Li, Bingjun Shen
Summary: The study found that cinnamic acid can form a supramolecular system with DNA, quench the fluorescence of the DNA system, and increase the DNA's melting point. Further experiments showed that the structure of cinnamic acid molecule inserts between DNA base pairs, contributing to a better understanding of their interaction mechanism.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Food Science & Technology
Shen Yang, Mingyao Wang, Jialong Gao, Jiaxin Liu, Ritian Jin, Rong Lin, Wuyin Weng, Jude Juventus Aweya
Summary: The activity of antimicrobial peptides (AMPs) can be enhanced by low concentration of sodium chloride (NaCl), which can increase the antibacterial effect against Staphylococcus aureus. The enhancement is achieved through the destruction of bacterial structure, transformation of peptide structure, and increased binding and permeability to bacterial membranes.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Aysel Aydin Kocaeren, Dilek Senol Bahceci, Neslihan Demir, Busra Dalgic, Elifnur Karatag
Summary: New Schiff bases, ligand (L), poly-ligand (PL) and metal complexes [M(PL)2], were synthesized and characterized. The metal complexes showed better biological properties than PL, including DNA binding-cleavage, antioxidant and antibacterial activities. The [Cu(PL)2] complex exhibited excellent oxidative cleavage activity and denaturing ability, while [Hg(PL)2] complex showed high antioxidant and antibacterial activities. The UV-Vis spectra confirmed the electrostatic mode of DNA binding for the poly-ligand and its metal complexes. Rating: 8 points
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Biochemistry & Molecular Biology
K. Pavithra, R. Durga Priyadharshini, K. N. Vennila, Kuppanagounder P. Elango
Summary: The interaction between the antiviral drug Molnupiravir (MOL) and calf thymus DNA (CT-DNA) was investigated. The results showed that MOL exhibited high binding affinity for CT-DNA through intercalative mode of binding. The complex was stabilized by H-bonding and pi-pi/pi-cation interactions.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
T. K. Shahin Muhammed, Amitkumar Das, C. Sarath Chandran, B. C. Revanasiddappa, K. Sreeraj, K. Shijith
Summary: In this study, a series of new compounds were synthesized and their structures and pharmacological activities were analyzed experimentally and computationally. The results showed that these compounds exhibited good anti-inflammatory properties.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Anton A. Muravev, Alexandra D. Voloshina, Anastasia S. Sapunova, Farida B. Gabdrakhmanova, Oksana A. Lenina, Konstantin A. Petrov, Sergey Shityakov, Ekaterina V. Skorb, Svetlana E. Solovieva, Igor S. Antipin
Summary: In this study, a series of calixarenes derivatized with 3-phenyl-1H-pyrazole units were synthesized and characterized. These compounds showed specific cytotoxicity for M-HeLa cells with low mutagenicity and haemotoxicity. Compound 7b and 7c induced apoptosis in M-HeLa cells through the mitochondrial pathway and arrested the cell cycle at G0/G1 phase. The overexpression of DNA damage markers in pyrazole-treated M-HeLa cells suggested that calixarene pyrazoles target DNA, which was supported by the interactions between calixarenes and ctDNA at the air-water interface.
BIOORGANIC CHEMISTRY
(2023)
Article
Biochemical Research Methods
Ross D. Overacker, Birte Plitzko, Sandra Loesgen
Summary: DNA replication is a critical point of therapeutic intervention for many cancer types, with several small molecules targeting DNA developed into clinically used antitumor agents. Natural product sources contain a vast number of DNA binding small molecules, but isolating and identifying these molecules is challenging. The study explored the use of biolayer interferometry (BLI) as a tool for rapidly screening natural product sources for DNA targeting small molecules.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Physical
Yusif S. El-Sayed, Mohamed Gaber, Marwa N. El-Nahass
Summary: Three novel chelates derived from HL have been designed, with detailed structural and spectral analyses showing their potential as optical sensors for metal ions. All compounds interact with CT-DNA through intercalative mode, with evaluated binding constants confirming strong intercalation between the investigated ligand and metal complexes with the CT-DNA, indicating their potential use as therapeutic drugs. The metal complexes also exhibited antimicrobial activities upon screening.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Avinash Kotian, Vinayak Kamat, Krishna Naik, Dhoolesh G. Kokare, Karthik Kumara, Neratur Krishnappagowda Lokanath, Vidyanand K. Revankar
Summary: This study synthesized later first-row transition metal complexes of hydroxyacetone derived N4-methyl substituted thiosemicarbazone, and determined their crystal structures and spectroscopic characterization. The complexes showed different molecular structures and crystalline structures. The synthesized compounds exhibited high activity in in vitro antitubercular tests.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
G. Reshma, Varadha Padmanabhan, Arathi R. Varma, M. S. Gouri, Unnimaya R. Nair, P. B. Parvathy, Naveen Kulkarni, Dineshchakravarthy Senthurpandi
Summary: A series of homoleptic and heteroleptic 3d transition metal complexes were synthesized with analytically pure form and high yield using 1,3-bis(2-pyridylimino)isoindolate (BPIH) ligand. The homoleptic complexes exhibited a distorted octahedral structure with two meridionally coordinating BPI ligands, while the heteroleptic complexes showed a highly distorted square pyramidal geometry with a planar tridentate BPI ligand coordinating to the metal center along with chloro and aqua ligands. These complexes have unique structural features and potential catalytic applications.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Avinash Kotian, Vinayak Kamat, Krishna Naik, Dhoolesh G. Kokare, Karthik Kumara, Krishnappagowda Lokanath Neratur, Vijay Kumbar, Kishore Bhat, Vidyanand K. Revankar
Summary: This paper investigates the p-halo N4-phenyl substituted thiosemicarbazones derived from 8-hydroxyquinoline, their crystal structures, spectral characterization, and in vitro cytotoxic studies of Co(III), Ni(II) and Cu(II) complexes. The complexes show enhanced antiproliferative activity against MCF-7 breast cancer cell lines, especially the Co(III) complexes displaying a roughly two fold increase in activity compared to the standard drug, Paclitaxel. Additionally, fluorescence microscopy images suggest an apoptotic mode of cell death.
BIOORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Ramesh S. Vadavi, Satish S. Bhat, S. Naveen, Vidyanand K. Revankar, K. B. Gudasi, N. K. Lokanath, Rahul Pinjari, Vijay Kumbar, Kishore Bhat, Ray J. Butcher
Summary: In this study, two Iridium(III) complexes were designed, synthesized and structurally characterized. The photophysical properties of the complexes were analyzed and their interaction with DNA as well as cytotoxicity and cellular localization properties were investigated.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Inorganic & Nuclear
Pooja Lokesh Hegde, Krishna Naik, Satish S. Bhat, Sabiha A. Shaikh, Ray J. Butcher, S. Naveen, N. K. Lokanath, Vidyanand K. Revankar
Summary: A ligand HL and its cobalt(III), nickel(II) and copper(II) complexes were synthesized and structurally characterized. Complex 3 showed better antitubercular activity compared to standard drug, and exhibited higher cytotoxicity in HEK293 cell lines. Complexation increased the inhibition of tuberculosis bacteria compared to free ligand.
JOURNAL OF COORDINATION CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Satish S. Bhat, Vidyanand K. Revankar, Rahul V. Pinjari, Vijay Kumbar, Kishore Bhat, Vitthal A. Kawade
Summary: Two water-soluble ruthenium(II) polypyridyl complexes have been synthesized and characterized, and their structural, optical, and cellular imaging properties have been investigated. The complexes exhibit strong emission in aqueous solutions and show low toxicity towards human cancer and kidney cell lines. Fluorescence microscopy confirms their potential for cellular imaging applications.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
G. Reshma, S. Nakul, P. M. Mahitha, Naveen Kulkarni, Dineshchakravarthy Senthurpandi, Sharma S. R. K. C. Yamijala, William W. Brennessel, William D. Jones
Summary: This study investigates the preparation, coordination chemistry, and molecular structure of half-sandwich ruthenium(II) complexes. The results demonstrate that the steric factors of the ligand substituents have a profound influence on the complexes, and an interesting solvent-induced geometrical change is documented.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Pooja Lokesh Hegde, Satish S. Bhat, Vidyanand K. Revankar, Sabiha A. Shaikh, Karthik Kumara, N. K. Lokanath
Summary: In this study, three novel copper (II) complexes containing a thiosemicarbazone ligand were synthesized and characterized. The complexes were characterized using various spectroscopic techniques and the crystal structure of one of the complexes was confirmed using single-crystal X-ray analysis. In vitro experiments showed that these copper (II) complexes exhibited excellent anti-TB activity at nano-molar concentrations and low cytotoxicity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
S. Swathy, Hanjith Chandran, G. Reshma, S. Nakul, Meenu Kumar, M. Adithya Krishnan, Naveen Kulkarni, Dineshchakravarthy Senthurpandi, Shafa S. Contractor, Suresh B. Arakera
Summary: A series of transition metal complexes were synthesized and characterized, and it was found that the steric factors of the ligand substituents affect the molecular structures and stoichiometry of the complexes. These synthesized compounds showed bactericidal activity against bacteria, but with high minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Vindhya Hegde, C. O. Sreekala, Naveen V. Kulkarni, Dineshchakravarthy Senthurpandi, Jomon Mathew
Summary: A series of cobalt(II) complexes with diverse structural and electronic properties were prepared and thoroughly characterized. Among them, the C4 complex exhibited the highest power conversion efficiency.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Review
Materials Science, Multidisciplinary
Phalalochanan Nair Jayapal Arjun, Bipin Sankar, Karthik V. V. Shankar, Naveen V. V. Kulkarni, Subbarayan Sivasankaran, Balakrishnan Shankar
Summary: This article discusses the use of silver nanoparticles in fighting the COVID-19 pandemic based on current information. Research has shown that silver has antimicrobial and antiviral properties, and can exhibit the expected antiviral characteristics in the human body. However, higher concentrations of silver compounds may have increased cytotoxic effects.
Article
Chemistry, Physical
Vindhya Hegde, C. O. Sreekala, Naveen V. Kulkarni, Jomon Mathew
Summary: A series of eight cobalt(II) pincer complexes were prepared using NNN tridentate and NN bidentate pincer ligand systems. Spectroscopic techniques and X-ray analysis were used to characterize the ligands and complexes. Computational and electrochemical methods were employed to study the molecular structures and energy gaps of the compounds. The cobalt (II) complexes were tested as dyes in dye-sensitized solar cells, and the complex C7 with a bis(benzimidazole) system and an ethylene backbone showed the highest power conversion efficiency.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
P. M. Mahitha, S. Nakul, Naveen V. Kulkarni, Balaji R. Jagirdar, William D. Jones
Summary: A series of Ru(iii) complexes with accessible N-donor organic pincer ligands were used as catalysts in the Guerbet upgrading reaction of ethanol under aerobic conditions. The tridentate ligand systems with amino-dimethyl and pyridine backbones showed higher efficiency compared to the bidentate ligand systems with phenyl and ethene backbones. Potassium t-butoxide was the most compatible base for this catalyst system. A reaction with 0.1 mol% catalyst and 10 mol% potassium t-butoxide yielded 27% n-butanol at 71% selectivity (150 degrees C, 24 h).
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Reshma Geetha, Meenu Kumar, Naveen Kulkarni, William D. Jones
Summary: The catalytic efficacy of nickel(II)-diphosphine systems in the dehydrogenation of 1-phenylethanol to acetophenone under acceptorless conditions was investigated. It was found that the steric and electronic factors of the phosphine ligands, as well as the nature of the base and reaction conditions, had a significant impact on the catalytic activity. Among the catalysts tested, the catalyst C4 showed the highest conversion rate of 52% when used with sodium ethoxide in toluene at 120 degrees C.
ACTA CHIMICA SLOVENICA
(2021)
Proceedings Paper
Materials Science, Multidisciplinary
Naveen V. Kulkarni
MATERIALS TODAY-PROCEEDINGS
(2021)
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)