Article
Chemistry, Applied
Xin Liu, Jiangtao Zhao, Guoqiang Qiu, Tahani Awad Alahmadi, Sulaiman Ali Alharbi, Milton Wainwright, Wei Duan
Summary: In this study, the inhibition effects of five compounds on HMG-CoA reductase and urease enzymes were investigated. The results showed that these compounds have inhibitory effects on both enzymes. Additionally, the compounds demonstrated good cytotoxic effects against human breast and prostate cancers. The study highlights the potential role of phenolic molecules in preventing degenerative diseases.
JOURNAL OF OLEO SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Giovanni Canil, Juan Gurruchaga-Pereda, Simona Braccini, Lorella Marchetti, Tiziana Funaioli, Fabio Marchetti, Alessandro Pratesi, Luca Salassa, Chiara Gabbiani
Summary: Photoactivatable Pt(IV) prodrugs have great potential as metal-based drugs due to their chemical inertness in oxidized form and selective targeting compared to Pt(II) compounds. A new Pt(IV) complex, soluble in water and unreactive until reduction, was synthesized. The complex exhibited rapid and efficient photoreduction with visible light, facilitated by a catalytic system based on flavin and NADH. The reactivity of the prodrug against biological targets was only observed after photoreduction to its Pt(II) analogue.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Anupama Sharma, Naveen Dhingra, Har Lal Singh, Sarita Khaturia, Uma Bhardawaj
Summary: A series of new dimethyl-, dibutyltin(IV), trimethylsilicon(IV), and phenylsilicon(IV) compounds with bidentate nitrogen and sulphur donor ligands were synthesized and characterized. The compounds' geometrical parameters, chemical properties, and antibacterial activities were investigated. The results showed that compounds with bulky groups and hydrogen bond acceptor groups exhibited enhanced antibacterial activity against Staphylococcus aureus.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Analytical
Pelin Senel, Soykan Agar, Yusuf Serhat Is, Filiz Altay, Aysegul Golcu, Mine Yurtsever
Summary: This study thoroughly investigated the binding mechanism and interactions of Pemetrexed with dsDNA, revealing its fairly strong binding to the minor groove of dsDNA through hydrogen bond interactions with adenine and guanine bases. Molecular docking simulations and MD simulations confirmed the stable interaction and robust electrostatic interactions between the drug and dsDNA.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2022)
Article
Biochemistry & Molecular Biology
Blazej Grodner, Mariola Napiorkowska, Dariusz Maciej Pisklak
Summary: This study investigates the type and inhibitory strength of catalase using two pairs of aminoalkanol derivatives. The results show that all four derivatives are competitive inhibitors of catalase, but their strength of action depends on the type of substituents present in the molecule's main structure. The study also demonstrates the weak inhibitory strength of these derivatives through docking studies and analysis of kinetic parameters.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Inorganic & Nuclear
Yasmin M. Ahmed, Gehad G. Mohamed
Summary: Organotin(IV) complexes [RSn(H2L)] were synthesized and studied using various analytical techniques. The complexes showed higher antibacterial activity compared to the Schiff base ligand. In addition, density functional calculations and molecular docking experiments were performed to explore the structure and reactivity of the compounds.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Applied
Anup Paul, Rais Ahmad Khan, Gouse M. Shaik, Jilani P. Shaik, Avdhesh K. Rai, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: Two new anthracene Schiff base triorganotin (IV) compounds, trimethylstannyl(E)-4-((anthracen-9-ylmethylene)amino)benzoate (1) and triphenylstannyl(E)-4-((anthracen-9-ylmethylene)amino)benzoate (2), were synthesized and characterized. Both compounds exhibited significant in vitro cytotoxicity against lung carcinoma and leukemia cancer cell lines. Compound 2 showed a higher binding affinity to NF-κB p65 and Hsp90 proteins, supporting the experimental findings.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Tehreem Tahir, Mirza Imran Shahzad, Rukhsana Tabassum, Muhammad Rafiq, Muhammad Ashfaq, Mubashir Hassan, Katarzyna Kotwica-Mojzych, Mariusz Mojzych
Summary: A series of azo derivatives were synthesized and evaluated for their therapeutic applications against alpha-glucosidase and pathogenic bacterial strains, with TR-1 showing the most effective inhibition as a non-competitive inhibitor binding reversibly to the enzyme's binuclear active site.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Physical
Muvvala Venkatanarayana, Ravi Nuchu, Haridasyam Sharath Babu
Summary: Novel indole derivatives based on Benzopril were synthesized using an ultrasound-assisted method in PEG-400. These derivatives showed promising anticancer activities and exhibited excellent binding with protein structures.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Tushar S. Basu Baul, Bietlaichhai Hlychho, Maheswara Rao Addepalli, Sajal Kundu, Dick de Vos, Anthony Linden
Summary: Three polynuclear organotin(IV) derivatives, denoted as [n-Bu3Sn(HL)]n 1, [Ph3Sn(HL)]n 2, and [n-Bu2Sn(HL)2]2 3, have been successfully synthesized by reacting 2-((E)-(4-hydroxy-3-((E)-((4-(methoxycarbonyl)phenyl)imino)methyl)phenyl)diazenyl)benzoic acid (H'HL) with (n-Bu3Sn)2O, Ph3SnOH, and n-Bu2SnO, respectively. The structures of 1-3 were fully characterized and their molecular and crystal structures were determined by single-crystal X-ray diffraction analysis. Compound 1 is a one-dimensional coordination polymer, whereas compound 2 is a one-dimensional coordination polymer with a zwitterionic form of the azo ligand. Compound 3 crystallizes as discrete centrosymmetric dinuclear entities with a heptacoordinated Sn(IV) center in a distorted pentagonal bipyramidal coordination geometry.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
K. Lavanya, Pratap Veeresh Babu, Anna Tanuja Safala Bodapati, Ragaiahgari Srinivas Reddy, Shravya Rao Madku, Bijaya Ketan Sahoo
Summary: This study explored the binding mode of 3,3'-Carbonylbis(7-diethylamino coumarin) (CDC) with DNA and investigated its antioxidant activity. The results showed that CDC exhibited comparable antioxidant activity to standard ascorbic acid and could form a complex with DNA. The binding mode of CDC with DNA was found to be groove binding. Molecular docking studies further confirmed these findings.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Computer Science, Interdisciplinary Applications
Dragana S. Seklic, Tijana Dukic, Dejan Milenkovic, Milena M. Jovanovic, Marko N. Zivanovic, Zoran Markovic, Nenad Filipovic
Summary: This study categorized the progression of epithelial-mesenchymal transition (EMT) in colorectal cancer using numerical modeling and experimental validation. The effectiveness of treatment in EMT suppression was assessed, and the sensitivity and anti-migratory/invasive effects varied between different cell types and treatments.
COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE
(2022)
Article
Biochemistry & Molecular Biology
Luis Bustos, Carlos Echiburu-Chau, Alejandro Castro-Alvarez, Ben Bradshaw, Mario J. Simirgiotis, Marco Mellado, Claudio Parra, Mauricio Cuellar
Summary: This study determined the cytotoxicity of eleven chalcones synthesized from two acetophenones and investigated their possible mechanisms. Two chalcones showed significant inhibitory effects and are potential candidates for further research and development.
Article
Chemistry, Medicinal
Komal Kalani, Dharmendra K. Yadav, Sarfaraz Alam, Feroz Khan, Mahendra P. Kashyap, Santosh K. Srivastava, Aditya B. Pant
Summary: This study demonstrates the effectiveness of using QSAR modelling, in silico ADMET, docking, chemical semi-synthesis, and in vitro evaluation studies to identify active camptothecin derivatives against cancer-targeting human liver and lung cancer cell lines. The experimental results are consistent with the predicted results, showing promise in the development of anticancer drugs from the natural product camptothecin.
CURRENT TOPICS IN MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Dao T. Nhung, Nguyen N. Tram, Pham T. T. Tam, Kseniia A. Alekseeva, Victor N. Khrustalev, Dang T. Hoang, Le. T. Duan, Le. T. Anh
Summary: Multicomponent reactions (MCR) are important tools in modern organic synthesis, offering advantages such as time and chemical savings. This study reports on the synthesis of a new type of crown ether through a three component reaction, and the identified compounds were found to have potential as antidiabetic drugs by inhibiting α-glucosidase.
Article
Chemistry, Analytical
Sellamuthu Anbu, Anup Paul, Kalpana Surendranath, Nadeen Shaikh Solaiman, Armando J. L. Pombeiro
Summary: In this study, a new benzimidazole-based Schiff base type fluorogenic chemosensor (DFB) was successfully synthesized using a single pot synthesis strategy, allowing for differential detection of Cu2+ and Zn2+ with high sensitivity, as well as other metal and bio-relevant ions. Furthermore, the specific interaction of DFB-Zn2+ with the phosphate backbone of DNA was demonstrated, along with its potential applications in cancer cell lines.
SENSORS AND ACTUATORS B-CHEMICAL
(2021)
Article
Chemistry, Physical
Tushar S. Basu Baul, Anurag Chaurasiya, Maria G. Vasquez-Rios, Herbert Hopfl
Summary: Four zinc(II) complexes were successfully synthesized using a specific ligand, with their structures characterized by various analytical techniques and confirmed by single crystal X-ray diffraction studies. The molecular arrangements of the complexes were found to be influenced by different anions attached to the zinc ions, as revealed through intermolecular interactions analysis.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Applied
Rais Ahmad Khan, Amal AlFawaz, Nida N. Farshori, Anup Paul, Mohammed H. Jaafar, Ali Alsalme
Summary: Two organometallic ruthenium (II) complexes containing analogs of aminobenzimidazole were synthesized and characterized. Their binding affinity with human serum albumin and cytotoxic potential against cancer cells were evaluated. One of the complexes showed promising cytotoxic properties, indicating its potential as an anticancer therapeutic.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Anirban Karmakar, Anup Paul, Ines R. M. Santos, Pedro M. R. Santos, Elia Pantanetti Sabatini, Atash V. Gurbanov, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: In this study, four new zinc(II) coordination polymers (CPs) were synthesized and characterized. CP 1, with an anthracene group, showed the highest efficiency in removing various cationic and anionic dyes. CPs 3 and 4, tagged with pyrene, selectively removed cationic dyes.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Mamata Singh, Nishant Kumar Rana, Madaswamy S. Muthu, Abhishek Jha, Tushar S. Basu Baul, Biplob Koch
Summary: The study suggests that TPGS micelles can enhance the therapeutic effectiveness of Ph3SnL (IV) in breast cancer cells and may serve as a promising candidate for targeted drug delivery against breast cancer cells.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Tushar S. Basu Baul, M. F. atima C. Guedes da Silva, Maheswara Rao Addepalli, Bietlaichhai Hlychho, Antonin Lycka, Praseeda Vamadevan, Shashank Saurav, Sunil K. Manna
Summary: This study expands an attractive coordination chemistry scaffold by introducing alkyl groups of different steric hindrance into O,N,S-tris-chelating ligands. Six novel compounds were synthesized and characterized, and their properties were evaluated through NMR analysis and cell experiments. Compounds 4-6 demonstrated good cytotoxic activity in human histiocytic lymphoma U-937 cells.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Physical
Anup Paul, Tiago A. R. Silva, Mohamed M. A. Soliman, Jozo Karacic, Biljana Sljukic, Elisabete C. B. A. Alegria, Rais Ahmad Khan, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: In this study, two new copper(II) complexes were synthesized and characterized. It was found that one of the complexes exhibited high activity for the oxidation of toluene, while the other complex showed excellent performance for electrochemical energy conversion reactions such as oxygen reduction and water splitting in an alkaline medium.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Medicine, Research & Experimental
Mamata Singh, Virendra Singh, Tushar S. Basu Baul, Biplob Koch
Summary: The study demonstrated that TSD-30-F and TSD-34-F micelles have significant apoptotic induction effects on breast cancer cells by regulating the expression of specific genes and proteins. In addition, in silico analysis showed efficient binding affinity of the micelles with key proteins involved in apoptosis.
Article
Chemistry, Inorganic & Nuclear
Tushar S. Basu Baul, Bietlaichhai Hlychho, Maheswara Rao Addepalli, Sajal Kundu, Dick de Vos, Anthony Linden
Summary: Three polynuclear organotin(IV) derivatives, denoted as [n-Bu3Sn(HL)]n 1, [Ph3Sn(HL)]n 2, and [n-Bu2Sn(HL)2]2 3, have been successfully synthesized by reacting 2-((E)-(4-hydroxy-3-((E)-((4-(methoxycarbonyl)phenyl)imino)methyl)phenyl)diazenyl)benzoic acid (H'HL) with (n-Bu3Sn)2O, Ph3SnOH, and n-Bu2SnO, respectively. The structures of 1-3 were fully characterized and their molecular and crystal structures were determined by single-crystal X-ray diffraction analysis. Compound 1 is a one-dimensional coordination polymer, whereas compound 2 is a one-dimensional coordination polymer with a zwitterionic form of the azo ligand. Compound 3 crystallizes as discrete centrosymmetric dinuclear entities with a heptacoordinated Sn(IV) center in a distorted pentagonal bipyramidal coordination geometry.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Anirban Karmakar, Anup Paul, Maria Fatima C. da Silva, Armando J. L. Pombeiro
Summary: Two new 1D Cd(II) coordination polymers were synthesized and used as catalysts for the solvent-free Strecker-type cyanation reaction of different acetals. One of the catalysts showed higher activity, and both catalysts were found to be recyclable.
Article
Toxicology
Virendra Singh, Nishant Kumar Rana, Mohammad Kashif, Partha Pratim Manna, Tushar S. Basu Baul, Biplob Koch
Summary: In this study, the therapeutic efficacy and molecular mechanism of action of aqua-(2-for-mylbenzoato) triphenyltin (IV) compound (OTC) in the MDA-MB-231 cell line were investigated. The results showed that OTC had stronger cytotoxic effects on hypoxic cells and induced cell apoptosis. Moreover, OTC downregulated the expression of certain proteins related to tumor development under hypoxic conditions.
TOXICOLOGY IN VITRO
(2023)
Article
Chemistry, Physical
Tushar S. Basu Baul, Bietlaichhai Hlychho, Maheswara Rao Addepalli, Andrew Duthie, Olivia Sarkar, Arpan Dey Bhowmik, Ansuman Chattopadhyay, Maria G. Vasquez-Rios, Herbert Hoepfl
Summary: The synthesis and characterization of five diorganotin (IV) complexes with different ligands have been reported. The complexes exhibit two distinct configurations, with six-coordinate C2SnN2Cl2 environments. The molecular arrangements in the solid-state structures are determined by various weak interactions. The anti-proliferative activity of the complexes against breast cancer cells has been evaluated, with one complex showing the best activity and another significantly less active. The mechanism of cell death was found to be apoptosis.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Anirban Karmakar, Anup Paul, Pedro M. R. Santos, Ines R. M. Santos, M. . Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: In this study, two new Cd(II) coordination polymers were synthesized and characterized. These polymers showed good adsorption efficiency for cationic dyes. The adsorption kinetics and isotherms were determined, and in silico studies provided insights into the dye removal mechanism. Additionally, the stability and recyclability of the polymers were tested.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Multidisciplinary
Anirban Karmakar, Anup Paul, Pedro M. R. Santos, Ines R. M. Santos, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: In this study, two novel Cd(II) coordination polymers were synthesized and characterized, and their catalytic application was explored. The results showed that one of the polymers exhibited higher efficiency in catalysis compared to the other, and both polymers remained active after at least five cycles of recycling.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Anup Paul, Priya Singh, Maxim L. Kuznetsov, Anirban Karmakar, M. Fatima C. Guedes da Silva, Biplob Koch, Armando J. L. Pombeiro
Summary: The two newly synthesized copper(II) compounds exhibit significant in vitro cytotoxic effects, particularly showing pronounced inhibitory effects on the proliferation of the breast cancer cell line MCF-7. Through various biological studies, the effective antiproliferative mechanism of compound 1 on breast cancer cells has been confirmed.
DALTON TRANSACTIONS
(2021)