☆ 4.1 Article

Novel dibenzosuberene substituted aroyl selenoureas: Synthesis, crystal structure, DFT, molecular docking and biological studies

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS (2020)

期刊

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

卷 195, 期 4, 页码 331-338

出版社

TAYLOR & FRANCIS LTD

DOI: 10.1080/10426507.2019.1699924

关键词

Antibacterial; antifungal; molecular docking; DFT; single-crystal XRD

类别

Chemistry, Inorganic & Nuclear Chemistry, Organic

资金

MHRD, Government of India

向作者/读者索取更多资源

Protocol

Reagent

摘要

A series of aroyl selenourea dibenzosuberene (1-3) derivatives were synthesized and characterized by different analytical methods and single crystal X-ray crystallography. Quantum chemical computations were made using DFT to determine the structural and molecular properties of the compounds. The in vitro antibacterial action of the compounds was evaluated against chosen gram-negative (Pseudomonas aeruginosa, Klebsiella pneumoniae, and Escherichia coli), and gram-positive (Bacillus subtilis, Staphylococcus aureus, and Staphylococcus epidermidis) bacteria for their antifungal activity against Curvularia lunata, Penicillium notatum, and Aspergillus niger. Using molecular docking studies, the binding modes were understood along with the mechanism in opposing the target protein MurB.

作者

我是这篇论文的作者

点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.1

评分不足

次要评分

新颖性

-

重要性

-

科学严谨性

-

评价这篇论文

推荐

Article Biochemistry & Molecular Biology

Synthesis, DFT, Biological and Molecular Docking Analysis of Novel Manganese(II), Iron(III), Cobalt(II), Nickel(II), and Copper(II) Chelate Complexes Ligated by 1-(4-Nitrophenylazo)-2-naphthol

Yousef A. A. Alghuwainem, Hany M. Abd El-Lateef, Mai M. Khalaf, Amer A. Amer, Antar A. Abdelhamid, Ahmed A. Alzharani, Anas Alfarsi, Saad Shaaban, Mohamed Gouda, Aly Abdou

Summary: In this study, novel metal chelates were synthesized and characterized using various analytical techniques. The molecular structures and quantum chemical parameters of the ligands and metal complexes were elucidated using density functional theory. The results showed that these complexes exhibit enhanced antimicrobial properties compared to the free ligands.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)

添加到收藏夹

Article Biology

Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)-2-naphthol (H2AZD)

Hany M. Abd El-Lateef, Mai M. Khalaf, Mahmoud Kandeel, Amer A. Amer, Antar A. Abdelhamid, Aly Abdou

Summary: Three new Fe(III), Ni(II), and Cu(II) complexes (FeAZD, NiAZD, and CuAZD) were synthesized and characterized. The FeAZD and CuAZD complexes exhibited octahedral geometry, while the NiAZD complex had a tetrahedral geometry. The CuAZD complex showed the highest antibacterial and antifungal activity.

COMPUTATIONAL BIOLOGY AND CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Physical

Synthesis of novel thiophene fused pyrazoline-thiocyanatoethanone derivative: Spectral, DFT, pharmacological, docking and in vitro antibacterial studies

K. Saranya, S. Murugavel

Summary: A novel thiophene fused pyrazoline-thiocyanatoethanone compound was synthesized with good yield, and its molecular structure was validated by SCXRD. The compound's spectral characteristics, geometrical parameters, and pharmacological properties were comprehensively studied through NMR, FTIR, UV, DFT calculations, HOMO-LUMO analysis, and molecular docking. The compound exhibited notable antibacterial activity against various bacterial strains in vitro.

JOURNAL OF MOLECULAR STRUCTURE (2021)

添加到收藏夹

Article Chemistry, Physical

Synthesis, Structural, Molecular Docking, DFT, Vibrational Spectroscopy, HOMO-LUMO, MEP Exploration, antibacterial and antifungal activity of new Fe(III), Co(II) and Ni(II) hetero-ligand complexes

Aly Abdou

Summary: Three new metal complexes FeLphen, CoLphen, and NiLphen were synthesized and characterized in this study. The results showed that these complexes exhibited different structural variety. The most stable orientations of these complexes were determined using density functional theory calculations. Furthermore, the metal complexes demonstrated higher antibacterial and antifungal activity.

JOURNAL OF MOLECULAR STRUCTURE (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Seven metal-based bi-dentate NO azocoumarine complexes: Synthesis, physicochemical properties, DFT calculations, drug-likeness, in vitro antimicrobial screening and molecular docking analysis

Aly Abdou, Hassan M. Mostafa, Abdel-Mawgoud M. Abdel-Mawgoud

Summary: In this study, a series of metal complexes based on azocoumarin ligand were synthesized and characterized. The metal complexes showed high antibacterial and antifungal activity and complied with drug-likeness rules. These findings suggest their potential applications in drug development.

INORGANICA CHIMICA ACTA (2022)

添加到收藏夹

Article Chemistry, Physical

Synthesis, structural determination, molecular docking and biological activity of 1-(4-fluorobenzyl)-5-bromolindolin-2,3-dione

Mohammed Hadj Mortada Belhachemi, Abdelmadjid Benmohammed, Halima Saiah, Nourdine Boukabcha, Merzouk Saidj, Necmi Dege, Ayada Djafri, Abdelkader Chouaih

Summary: In this study, a combination of theoretical and experimental methods was used to evaluate and understand the molecular geometrical properties of the FBID molecule. The calculations were performed using density functional theory, and the experimental results were in good agreement with the theoretical ones. The molecule showed favorable binding affinity with human serum albumin and exhibited anti-anxiety and anti-hypoxic activities, with low oral toxicity.

JOURNAL OF MOLECULAR STRUCTURE (2022)

添加到收藏夹

Article Pharmacology & Pharmacy

Synthesis, Characterization, Biological Activity and Molecular Docking Studies of Novel Organotin(IV) Carboxylates

Niaz Muhammad, Mukhtar Ahmad, Muhammad Sirajuddin, Zafar Ali, Nikolay Tumanov, Johan Wouters, Abdelbasset Chafik, Kuebra Solak, Ahmet Mavi, Shabbir Muhammad, Shaukat Shujah, Saqib Ali, Abdullah G. Al-Sehemi

Summary: In this study, four new carboxylates complexes were synthesized and their structures and properties were investigated. The results showed that these complexes exhibited different coordination modes and high activity, and displayed dose-dependent cytotoxic effects on lung cancer cells. Molecular docking analysis also demonstrated significant interactions between these complexes and DNA, tubulin, and coronaviruses proteins.

FRONTIERS IN PHARMACOLOGY (2022)

添加到收藏夹

Article Chemistry, Physical

Synthesis, spectroscopic characterization, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives

Younos Bouzian, Yusuf Sert, Karrouchi Khalid, Luc Van Meervelt, Karim Chkirate, Lhassane Mahi, Noureddine Hamou Ahabchane, Ahmed Talbaoui, El Mokhtar Essassi

Summary: In this study, three new quinolone derivatives were synthesized and evaluated for their antibacterial activities. Compound 4 showed the strongest antibacterial activity against Staphylococcus aureus among the tested compounds. Molecular docking studies were performed to analyze the binding interactions responsible for their activities.

JOURNAL OF MOLECULAR STRUCTURE (2021)

添加到收藏夹

Article Chemistry, Physical

Exploring the photocatalytic activity of synthesized hydrogen bonded charge transfer co-crystal of chloranilic acid with 2-ethylimidazole: DFT, molecular docking and spectrophotometric studies in different solvents

Ishaat M. Khan, Arshi Khan, Sonam Shakya, Maidul Islam

Summary: An organic donor (2-ethylimidazole) and an organic acceptor (chloranilic acid) were used to study the charge transfer (CT) interaction in polar solvents. The interaction between the donor and acceptor occurred through H-bonding, resulting in the formation of a CT complex. The CT complex was characterized using various analysis techniques, and its binding to human serum protein and photo-catalytic properties were investigated.

JOURNAL OF MOLECULAR STRUCTURE (2023)

添加到收藏夹

Article Biochemistry & Molecular Biology

An in silico molecular docking, ADMET and molecular dynamics simulations studies of azolyl-2H-chroman-4-ones as potential inhibitors against pathogenic fungi and bacteria

K. V. S. Mani Chandrika, V Prathyusha

Summary: In order to combat antimicrobial resistance, a library of 3960 compounds was designed as conformationally rigid analogues to oxiconazole. These compounds exhibited high binding affinity to fungal and bacterial proteins, indicating potential as therapeutic agents. Molecular dynamics simulations further confirmed the stability of protein-ligand complexes.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2023)

添加到收藏夹

Article Chemistry, Physical

Toward a treatment of antibacterial and antifungal infections: Design, synthesis and in vitro activity of novel arylhydrazothiazolylsulfonamides analogues and their insight of DFT, docking and molecular dynamic simulations

Ismail M. M. Othman, Mahmoud H. Mahross, Mohamed A. M. Gad-Elkareem, Mithun Rudrapal, Neelutpal Gogoi, Dipak Chetia, Kaiss Aouadi, Mejdi Snoussi, Adel Kadri

Summary: The newly synthesized compound 3d exhibited excellent antibacterial activity against various strains, especially when compared to commercial antibiotics. Its potential as a lead compound for further drug development is promising, supported by molecular docking and simulation studies.

JOURNAL OF MOLECULAR STRUCTURE (2021)

添加到收藏夹

Article Chemistry, Physical

Synthesis, structural, DFT, antibacterial, antifungal, anti-inflammatory, and molecular docking analysis of new VO(II), Fe(III), Mn(II), Zn(II), and Ag(I) complexes based on 4-((2-hydroxy-1-naphthyl)azo) benzenesulfonamide

Yousef A. A. Alghuwainem, Hany M. Abd El-Lateef, Mai M. Khalaf, Antar A. Abdelhamid, Anas Alfarsi, M. Gouda, Mohamed Abdelbaset, Aly Abdou

Summary: In this study, we synthesized and studied novel complexes involving VO(II), Mn(II), Fe(III), Zn(II), and Ag(I) with 4-((2-hydroxy-1-naphthyl)azo) benzenesulfonamide. Characterization techniques including thermogravimetry, magnetic susceptibility testing, electrical conductivity studies, infrared spectroscopy, and mass spectroscopy were crucial in the investigation. The metal complexes exhibited enhanced biological activity against harmful microorganisms compared to the unbound ligand. Molecular docking studies suggested that these compounds have physiological effects and potential applications in the pharmaceutical industry.

JOURNAL OF MOLECULAR LIQUIDS (2023)

添加到收藏夹

Article Chemistry, Physical

Impact of N-substituents on crystal packing of N-alkyl-N′-tosylpiperazines and development of new polymorph of tosylbis(2-(tosyloxy)ethyl)amine: Synthesis, DFT, photophysical, cytotoxic property

Rahul Kadu, Chirag Savani, Hetal Roy, P. H. Soni, Atresh Kumar Singh, Dushyanth R. Vennapu, Vinay K. Singh

Summary: Diethanol amine (DEA) was used as a lead compound to synthesize new compounds with high yield. The synthesized compounds were characterized using various techniques and evaluated for their antitumor activity in vitro. Some compounds showed higher cytotoxicity than cisplatin.

JOURNAL OF MOLECULAR STRUCTURE (2021)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Growth, single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular dynamics simulations, molecular docking, physico-chemical characterization and biological activity of novel thiocyanic complex with zinc transition metal precursor

Jawher Makhlouf, Youness El Bakri, Arto Valkonen, Kandasamy Saravanan, Sajjad Ahmad, Wajda Smirani

Summary: This work focuses on the study of novel thiocyanic complexes formed by the interaction of cationic entities with thiocyanate ligands. The complex (C11H18N2O)[Zn(SCN)(4)] was synthesized and its crystal structure was determined by single crystal X-ray crystallography. The compound was characterized using various analytical techniques such as infrared spectroscopy, UV-visible analysis, and thermal analysis. The antibacterial properties of the complex were also evaluated, and molecular docking and molecular dynamic simulations were performed to determine its binding affinity with different antibacterial targets. The results suggest that the compound shows strong and stable interactions with the MurF enzyme, which is involved in bacterial peptidoglycan synthesis.

POLYHEDRON (2022)

添加到收藏夹

Article Infectious Diseases

Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents

Alexander Zubenko, Victor Kartsev, Anthi Petrou, Athina Geronikaki, Marija Ivanov, Jasmina Glamoclija, Marina Sokovic, Lyudmila Divaeva, Anatolii Morkovnik, Alexander Klimenko

Summary: In this study, a series of novel heteroarylated benzothiazoles with antimicrobial activity were designed, prepared, and studied. These compounds showed moderate antibacterial activity, with compound 2j being the most potent. They also exhibited good antifungal activity, with compound 2d being the most active. Docking studies suggested that inhibition of E. coli MurB and 14-lanosterol demethylase may be the mechanism behind the antibacterial and antifungal activities of these compounds.

ANTIBIOTICS-BASEL (2022)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Coordination of the Hemilabile Ligand Diphenylvinylphosphine to Ru4(μ-H)4(CO)12: Synthesis, Stability and Structural Studies

Ren Kai Edward Neo, Han Wee Ong, Zhen Xuan Wong, Elumalai Kumaran, Rakesh Ganguly, Weng Kee Leong, Yong Leng Kelvin Tan

Summary: Thermal activation of Ru-4(mu-H)(4)(CO)(12) results in the formation of substitution products 2a and 2b with diphenylvinylphosphine ligands terminally bound to ruthenium centers. The clusters retain their structural integrity at elevated temperatures and maintain the D2d symmetry of the parent cluster 1.

JOURNAL OF CLUSTER SCIENCE (2022)

添加到收藏夹

Article Biochemical Research Methods

A Highly Fluorescent Pyrene-Based Sensor for Selective Detection Of Fe3+ Ion in Aqueous Medium: Computational Investigations

Puthiyavalappil Rasin, Merlin Mary Mathew, Vipin Manakkadan, Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Anandaram Sreekanth

Summary: In this work, a highly selective and sensitive fluorescent sensor based on a pyrene derivative was developed for the detection of Fe(III) ions in DMSO/water media. The sensor exhibited fluorescence quenching in the presence of Fe(III) ions, with a low limit of detection. The fluorescence lifetime and quantum yield measurements confirmed the binding of the receptor PEBD to Fe(III) ions. Computational studies were conducted to further investigate the properties of the receptor PEBD.

JOURNAL OF FLUORESCENCE (2022)

添加到收藏夹

Article Biochemical Research Methods

An Effective Selenium-Based Fluorescence Chemosensor for Selective Recognition of Hg2+ in Aqueous Medium: Experimental and Theoretical Studies

Puthiyavalappil Rasin, Moideen Musthafa, Anandaram Sreekanth

Summary: We have introduced a novel selenium-based compound for the optical and fluorimetric detection of Hg in an aqueous medium. The compound showed high selectivity and formed a complex with Hg2+ ions. Spectroscopic techniques and computational simulations were used to study the structure and electronic distribution of the compound.

JOURNAL OF FLUORESCENCE (2022)

添加到收藏夹

Article Engineering, Electrical & Electronic

A comparative study of antibacterial, anticancer and gas-sensing properties of zinc oxide nanostructures synthesized by different routes

T. Ramesh, B. Sravanthi, G. Umadevi, K. Ramaiah, B. Anna Tanuja Safala, T. Suneetha

Summary: The aim of this study is to synthesize ZnO nanostructures and investigate their gas-sensing, cytotoxicity, and antibacterial activity. Three different synthesis methods were employed: sol-gel, chemical co-precipitation, and microwave heating. Structural, morphological, and optical features of the synthesized materials were analyzed using X-ray diffraction, field effective scanning electron microscopy, and UV-Visible spectroscopy. The synthesized samples exhibited a hexagonal wurtzite structure, and their morphology and absorption varied depending on the synthesis method. Gas-sensing tests showed that the synthesized powders had a strong capability to sense NH3. The compounds also exhibited antimicrobial and anticancer activity, with significant activity observed against certain cancer cell lines.

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS (2023)

添加到收藏夹

Article Chemistry, Physical

Synthesis, spectroscopic characterizations, single crystal X-ray analysis, DFT calculations, in vitro biological evaluation and in silico evaluation studies of thiosemicarbazones based 1,3,4-thiadiazoles

Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Jebiti Haribabu, Vipin Manakkadan, Puthiyavalappil Rasin, Roslin Elsa Varughese, Dasararaju Gayathri, Nattamai Bhuvanesh, Cesar Echeverria, Anandaram Sreekanth

Summary: In this study, we synthesized and evaluated the biological activity of new thiosemicarbazones and their cyclized heterocyclic compounds through in silico and in vitro examinations. Two pyrene-based thiosemicarbazone compounds were prepared and two new compounds were obtained through cyclization reactions. The structure of the compounds was characterized using various analytical techniques. Among them, PP2 exhibited strong cytotoxicity and inhibited the growth of HepG-2 and T24 cells.

JOURNAL OF MOLECULAR STRUCTURE (2023)

添加到收藏夹

Article Chemistry, Multidisciplinary

A new mononuclear Fe(iii) Mannich-base complex with selective histidine binding and catechol oxidase activity

Bikramaditya Mandal, Anwesha Haldar, Rakesh Ganguly, Rajat Saha, Debdas Mandal

Summary: The design of an achiral Fe(III)-complex as an amino acid sensor that shows highly selective sensing of histidine over others in an aqueous methanolic solution has been developed. The complex exhibits structural characteristics of a simple mononuclear complex with distorted octahedral geometry. It forms an achiral 3D supramolecular structure through supramolecular hydrogen bonding interactions. The complex also acts as an effective catalyst in the oxidation reaction of 3,5-di-tert-butylcatechol in methanol solvent.

NEW JOURNAL OF CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Physical

Employing Cu(II) complexes of N,O-donor ligand for catalysis in visible light driven cleavage of lignin C-C bonds

Rishi Ranjan, Argha Chakraborty, Rakesh Ganguly, Suman Mukhopadhyay

Summary: Transition metal complexes catalyzed visible-light assisted photoreactions are highly demanded for sustainable processes. In this study, copper-containing photocatalysts were developed using a newly synthesized Schiff base ligand. The catalysts showed efficient cleavage of lignin C-C bonds under visible light irradiation, and could be recovered and recycled multiple times without significant loss of efficiency. The study also explored the mechanistic pathway of the degradation reaction and demonstrated the catalysts' potential for lignin degradation using sunlight.

MOLECULAR CATALYSIS (2023)

添加到收藏夹

Article Chemistry, Multidisciplinary

Thiophene anchored two new sets of carbohydrazide for the chemosensing and biological investigation

Merlin Mary Mathew, Puthiya Valappil Rasin, Priyabrata Mandal, Anandaram Sreekanth

Summary: This study develops two chemosensors, 3TCH and BTTCH, using photoluminescence spectroscopy (PL) to detect hazardous metal ions and anions, such as Cu2+, F-, and AcO-, in industrial and domestic water. Spectral variations and color changes indicate their interaction and the detection limits are low. The chemosensor 3TCH + F- shows the highest association constant and affinity. Furthermore, the compatibility of these chemosensors with common household items like mouthwash and vinegar is investigated.

RESULTS IN CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Analytical

Pilot Study on the Visualization of Latent Fingerprints and Naked Eye Detection of Hg2+ and Zn2+Ions in Aqueous Media Using Ninhydrin-Based Thiosemicarbazone

Puthiyavalappil Rasin, Praveena Prabhakaran, Sabeel M. Basheer, Vipin Manakkadan, Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Anandaram Sreekanth

Summary: We described a cheap and effective chemosensor (NHPyTSC) that can differentiate Hg2+ and Zn2+ ions from other metal ions. Spectroscopy techniques revealed noticeable color and absorption changes when mercury and zinc ions were added to the chemosensor. The addition of EDTA in NHPyTSC-Hg2+ and NHPyTSC-Zn2+ solutions allowed for colorimetry readings to be reversed. Additionally, the chemosensor showed potential applications in molecular information processing, molecular keypad lock, molecular logic gates, and latent fingerprint detection.

ANALYTICAL CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Physical

A turn-on fluorescent chemosensor for the meticulous detection of gallium (III) ion and its use in live cell imaging, logic gates and keypad locks

Puthiyavalappil Rasin, Jebiti Haribabu, Kailas Mahipal Malappuram, Vipin Manakkadan, Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Cesar Echeverria, Anandaram Sreekanth

Summary: A pyrene-based fluorescence sensor, PyAP, was developed for the specific detection of Ga3+ ions through a simple Schiff base reaction. It showed good selectivity and sensitivity in the presence of other metal ions. The binding constant between PyAP and Ga3+ was determined to be 7.03 x 104 M-1, with a detection limit of 3.35 nM in a DMSO/H2O (2:8, v/v) solution. The sensor's ability to detect Ga3+ in living cells and its cell permeability were validated through live cell imaging in T24 cells. Furthermore, PyAP was found to have applications in molecular logic gates and keypad locks.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2023)

添加到收藏夹

Article Electrochemistry

Reinforced corrosion resistance of mild steel in acidic medium by bis(2-acetylpyridine)dithiosemicarbazone (DTSc): electrochemical, surface and spectroscopic studies

Sabeel M. Basheer, S. L. Ashok Kumar, N. Sarathi, Puthiyavalappil Rasin, M. Saravana Kumar, Mathiyan Muralisankar, A. Sreekanth

Summary: A novel corrosion inhibitor DTSc has been developed and characterized using different spectroscopic techniques. Its effectiveness in protecting mild steel from corrosion in HCl has been evaluated using various corrosion monitoring techniques. The adsorption of DTSc on the mild steel surface was found to be chemisorption. The inhibition efficiency of DTSc increased with concentration and immersion time, and the presence of the inhibitor eliminated corrosion-related surface imperfections.

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Applied

Exploring the anticancer potential of thiadiazole derivatives of substituted thiosemicarbazones formed via copper-mediated cyclization

Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Jebiti Haribabu, Vaishnu Suresh Kumar, Vipin Manakkadan, Puthiyavalappil Rasin, Nattamai Bhuvanesh, Cesar Echeverria, Juan F. Santibanez, Anandaram Sreekanth

Summary: A series of thiosemicarbazones were synthesized and evaluated for their anticancer activity. One compound (CFM) showed potent inhibitory effects against breast adenocarcinoma and urinary bladder cancer cells, while exhibiting negligible cytotoxicity against normal cells. Molecular docking studies suggested effective binding of these compounds with cancer proteins and serum proteins. These findings provide insights into the bioactivities of thiosemicarbazones.

APPLIED ORGANOMETALLIC CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Physical

Synthesis and characterization of N4-substituted thiosemicarbazones: DNA/BSA binding, molecular docking, anticancer activity, ADME study and computational investigations

Vipin Manakkadan, Jebiti Haribabu, Vishnunarayanan Namboothiri Vadakkedathu Palakkeezhillam, Puthiyavalappil Rasin, Manas Mandal, Vaishnu Suresh Kumar, Nattamai Bhuvanesh, Rednam Udayabhaskar, Anandaram Sreekanth

Summary: In this study, a series of thiosemicarbazones were synthesized and their structures were confirmed using various spectroscopic techniques. The compounds showed interactions with CT-DNA and BSA, with TL3 exhibiting stronger binding and interaction. Computational evaluations revealed TL2 to have higher structural stability. All compounds showed potential as oral drug candidates. TL3 exhibited good anticancer activity in liver and endothelial carcinoma cells.

JOURNAL OF MOLECULAR STRUCTURE (2023)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Studies on anticancer properties with varying co-ligands in a Ru(ii) arene benzimidazole system

Pragti, Sreshtha Nayek, Satyam Singh, Avinash Sonawane, Ivo Grabchev, Rakesh Ganguly, Suman Mukhopadhyay

Summary: In this study, three Ru(II) arene complexes with a bidentate benzimidazole-based ligand were synthesized and their antitumor activity was studied by varying the co-ligand X. The synthesized compounds showed good interactions with serum albumin proteins, had good drug stability and lipophilic character. They were found to bind with DNA and could induce apoptosis in cancer cells, as well as upregulate cleaved caspase-3 expression and downregulate BCLXL expression. These findings provide a new direction for the investigation of antitumor ruthenium-based metallodrugs using benzimidazole-based ligands.

DALTON TRANSACTIONS (2023)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

A binuclear Cu(ii) complex as an efficient photocatalyst for N-alkylation of aromatic amines

Rishi Ranjan, Argha Chakraborty, Reena Kyarikwal, Rakesh Ganguly, Suman Mukhopadhyay

Summary: Visible-light driven photoreactions using transition metal complexes as catalysts are a current research hotspot in developing environmentally friendly sustainable processes. A binuclear Cu(II) complex synthesized using a Mannich base ligand has been characterized and found effective in catalyzing hydrogen auto-transfer and benzyl alcohol oxidation reactions under visible light irradiation. The mechanistic pathway for catalytic reactions has been explored using various experimental techniques.

DALTON TRANSACTIONS (2022)

添加到收藏夹

暂无数据

© Peeref 2019-2024. All rights reserved.