Article
Chemistry, Medicinal
Yogesh Nandurkar, Manish R. Bhoye, Deepika Maliwal, Raghuvir R. S. Pissurlenkar, Abhijit Chavan, Sushma Katade, Pravin C. Mhaske
Summary: A new series of N-aryl-4-(1,3-diaryl-1H-pyrazol-4-yl)thiazol-2-amine derivatives were synthesized and characterized. These derivatives showed good antimicrobial, antifungal, and antitubercular activities. They also exhibited significant docking scores with M. tuberculosis enoyl reductase and C. albicans sterol 14-α demethylase. These findings suggest that these derivatives could be potential lead compounds for the development of antifungal and antitubercular drugs.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Hamdi Hamid Sallam, Yasser Hussien Issa Mohammed, Fares Hezam Al-Ostoot, P. Akhileshwari, M. A. Sridhar, Shaukath Ara Khanum
Summary: This study reports the synthesis of a novel compound using a multistep synthesis process, followed by characterization and structure confirmation using various spectroscopic techniques. Analysis of the crystal structure and molecular properties was conducted, along with energy frameworks analysis to understand the packing of molecules and dominant energy types.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Organic
Frantisek Zalesak, Ondrej Kovac, Eliska Lachetova, Nikola St'astna, Jiri Pospisil
Summary: This paper presents a unified method for synthesizing N-substituted and N,N-disubstituted benzothiazole (BT) sulfonamides, starting from commercially available building blocks and utilizing various reaction sequences. The labile N-H bond in N-monoalkylated BT-sulfonamides facilitated the development of simple alkylation methods and stereoselective reactions. These methods were applied to the transformation of podophyllotoxin and several amino alcohols.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
K. Venil, A. Lakshmi, V. Balachandran, B. Narayana, Vinutha V. Salian
Summary: The FT-IR and FT-Raman spectra of a thiazole derivative were analyzed using DFT method, revealing potential bioactivity. Various molecular properties were characterized, suggesting further investigation into the pharmacological importance of thiazole derivatives.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Organic
Tukaram S. Choudhare, Devendra S. Wagare, Vijay T. Kadam, Prashant D. Netankar
Summary: The study involved the synthesis of 8-(benzyloxy)-5-(2-[1,3-diphenyl-1H-pyrazol-4-yl]thiazol-4-yl)quinolin-2(1H)-one derivatives and their screening for antimicrobial activity. Most of the synthesized compounds showed activity against both gram-positive and gram-negative bacteria, as well as a fungal strain.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2021)
Article
Chemistry, Organic
J. Jayasudha, V. Balachandran, B. Narayana
Summary: In this study, the crystallized structure and vibrational characteristics of a chlorinated compound were investigated using spectroscopy and computational simulations. The calculated vibrational frequencies were found to be in good agreement with experimental results, and the complete vibrational assignments were obtained through potential energy distributions. Furthermore, molecular docking analysis predicted the binding ability of the compound with proteins, indicating promising biological activities.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Multidisciplinary Sciences
N. Shanmugapriya, V Balachandran, B. Revathi, B. Narayana, Vinutha V. Salian, K. Vanasundari, C. Sivakumar
Summary: This research study investigated the structure, spectra, vibrational modes, and antimicrobial properties of a thiazole-pyrazole compound, as well as the interactions between molecules. Experimental and theoretical analyses were combined to explore the potential inhibitory nature of the binding molecule against various bacteria and fungi, showing promise in the field of antimicrobial research.
Article
Chemistry, Organic
Tukaram S. Choudhare, Devendra S. Wagare, Vasant B. Jagrut, Prashant D. Netankar
Summary: This study reported a one-pot multicomponent synthesis method for the synthesis of novel compounds, which is environmentally friendly, rapid, and yields products with good to excellent yield.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Physical
Najmedin Azizi, Navid Habibnejad, Tahereh Soleymani Ahooie
Summary: Graphitic carbon nitride (g-C3N4) has shown unique support properties in organic transformations. In this study, template-free ionic carbon nitride nanotubes were successfully synthesized and used as a green catalyst for the synthesis of 2-amino-5-alkylidene-thiazol-4-ones derivatives. The catalyst exhibited high stability, excellent yields, and could be reused multiple times.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Gonca Ozdemir Tari, Ercan Aydemir
Summary: The title compound, (E)-4-bromo-2(((3-chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)-5-fluorophenol, has been synthesized and characterized by experimental and theoretical methods. The molecular structure was determined by single crystal X-ray diffraction analysis. In addition, the molecular geometry, electronic properties, and non-linear optical properties of the compound were investigated using DFT calculations.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Satbir Mor, Mohini Khatri
Summary: A series of thiazole tethered indenopyrazoles exhibit potent antimicrobial and alpha-amylase inhibitory activities, with compound 3d showing the highest potency. The compounds show better inhibitory activity against the fungus Candida albicans compared to the standard drug Fluconazole, and compounds 3j and 3k are recognized as good alpha-amylase inhibitors.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Ramachandran Rajamanickam, Senthan Sivakolunthu, Jayanthi Sampathkumar
Summary: In this study, the compound BPZ was synthesized using Ce-MCM-48 catalyst and characterized by various spectroscopic techniques. Molecular structure was optimized using DFT, and the compound's interactions with the COVID-19 protein structure were investigated through molecular docking study, revealing significant hydrogen bonding interactions.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Organic
Alexander S. Bunev, Dmitry A. Khochenkov, Yulia A. Khochenkova, Yulia S. Machkova, Elena V. Varakina, Rovshan E. Gasanov, Marina A. Troshina, Olga S. Avdyakova
Summary: A series of thiazolyl-substituted 4-aminopyrimidine compounds were successfully synthesized through a two-stage process, showing good anticancer effects in antiproliferative assays on three tumor lines A431, A549, and HT-1080.
SYNTHETIC COMMUNICATIONS
(2021)
Article
Crystallography
Benson M. Kariuki, Bakr F. Abdel-Wahab, Gamal A. El-Hiti
Summary: The two target compounds have been successfully synthesized and crystallized from dimethylformamide solvent, producing suitable samples for structure determination. The materials are isostructural with triclinic symmetry and comprise two independent molecules in the asymmetric unit, which assume similar conformations. The molecule is essentially planar except for one fluorophenyl group, which is oriented roughly perpendicular to the rest of the molecule.
Article
Crystallography
Yunqian Feng, Jianghai Ye, Peng Wang, Shuqiong Tai, Tianqiong Lang
Summary: The information provides crystallographic data of a chemical compound, including cell parameters, space group, temperature, etc.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2022)
Article
Chemistry, Medicinal
Mark D. Andrews, Kerry af Forselles, Kevin Beaumont, Sebastien R. G. Galan, Paul A. Glossop, Mathilde Grenie, Alan Jessiman, Amy S. Kenyon, Graham Lunn, Graham Maw, Robert M. Owen, David C. Pryde, Dannielle Roberts, Thien Duc Tran
ACS MEDICINAL CHEMISTRY LETTERS
(2015)
Article
Multidisciplinary Sciences
Tom H. Wright, Ben J. Bower, Justin M. Chalker, Goncalo J. L. Bernardes, Rafal Wiewiora, Wai-Lung Ng, Ritu Raj, Sarah Faulkner, M. Robert J. Vallee, Anuchit Phanumartwiwath, Oliver D. Coleman, Marie-Laetitia Thezenas, Maola Khan, Sebastien R. G. Galan, Lukas Lercher, Matthew W. Schombs, Stefanie Gerstberger, Maria E. Palm-Espling, Andrew J. Baldwin, Benedikt M. Kessler, Timothy D. W. Claridge, Shabaz Mohammed, Benjamin G. Davis
Review
Biochemistry & Molecular Biology
Jitka Dadova, Sebastien R. G. Galan, Benjamin G. Davis
CURRENT OPINION IN CHEMICAL BIOLOGY
(2018)
Article
Biochemistry & Molecular Biology
Jakub Stefaniak, Andrew M. Lewis, Daniel Conole, Sebastien R. G. Galan, Carole J. R. Bataille, Graham M. Wynne, M. Paola Castaldi, Thomas Lundback, Angela J. Russell, Kilian V. M. Huber
ACS CHEMICAL BIOLOGY
(2018)
Article
Chemistry, Medicinal
David C. Pryde, Thien-Duc Tran, Iain Gardner, Helen Bright, Paul Stupple, Sebastien Galan, Liam Alsop, Lesa Watson, Donald S. Middleton, Satish Dayal, Michelle Platts, Edward J. Murray, Tanya Parkinson, Robert Webster
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2013)
Article
Chemistry, Medicinal
Paul A. Stupple, David V. Batchelor, Martin Corless, Patrick K. Dorr, David Ellis, David R. Fenwick, Sebasticn R. G. Galan, Rhys M. Jones, Helen J. Mason, Donald S. Middleton, Manos Perros, Francesca Perruccio, Michelle Y. Platts, David C. Pryde, Deborah Rodrigues, Nicholas N. Smith, Peter T. Stephenson, Robert Webster, Mike Westby, Anthony Wood
JOURNAL OF MEDICINAL CHEMISTRY
(2011)
Article
Chemistry, Multidisciplinary
K. Phin Chooi, Sebastien R. G. Galan, Ritu Raj, James McCullagh, Shabaz Mohammed, Lyn H. Jones, Benjamin G. Davis
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2014)
Article
Biochemistry & Molecular Biology
Sebastien R. G. Galan, James R. Wickens, Jitka Dadova, Wai-Lung Ng, Xinglong Zhang, Robert A. Simion, Robert Quinlan, Elisabete Pires, Robert S. Paton, Stephen Caddick, Vijay Chudasama, Benjamin G. Davis
NATURE CHEMICAL BIOLOGY
(2018)
Article
Biochemistry & Molecular Biology
Isabel V. L. Wilkinson, Jessica K. Reynolds, Sebastien R. G. Galan, Aini Vuorinen, Adam J. Sills, Elisabete Pires, Graham M. Wynne, Francis X. Wilson, Angela J. Russell
BIOORGANIC CHEMISTRY
(2020)
Article
Chemistry, Medicinal
Longbin Liu, Michael E. Prime, Matt R. Lee, Vinod Khetarpal, Christopher J. Brown, Peter D. Johnson, Patricia Miranda-Azpiazu, Xuemei Chen, Daniel Clark-Frew, Samuel Coe, Randall Davis, Anthony Dickie, Andreas Ebneth, Simone Esposito, Elise Gadouleau, Xinjie Gai, Sebastien Galan, Samantha Green, Catherine Greenaway, Paul Giles, Christer Halldin, Sarah Hayes, Todd Herbst, Frank Herrmann, Manuela Hessmann, Zhisheng Jia, Alexander Kiselyov, Adrian Kotey, Thomas Krulle, John E. Mangette, Richard W. Marston, Sergio Menta, Matthew R. Mills, Edith Monteagudo, Sangram Nag, Martina Nibbio, Laura Orsatti, Sabine Schaertl, Christoph Scheich, Joanne Sproston, Vladimir Stepanov, Marie Svedberg, Akihiro Takano, Malcolm Taylor, Wayne Thomas, Miklos Toth, Darshan Vaidya, Katarina Vanras, Derek Weddell, Ian Wigginton, John Wityak, Ladislav Mrzljak, Ignacio Munoz-Sanjuan, Jonathan A. Bard, Celia Dominguez
JOURNAL OF MEDICINAL CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Kuan-Yu Lai, Sebastien R. G. Galan, Yibo Zeng, Tianhui Hina Zhou, Chang He, Ritu Raj, Jitka Riedl, Shi Liu, K. Phin Chooi, Neha Garg, Min Zeng, Lyn H. Jones, Graham J. Hutchings, Shabaz Mohammed, Satish K. Nair, Jie Chen, Benjamin G. Davis, Wilfred A. van der Donk
Summary: LanCL catalyzes the addition of glutathione to Dha/Dhb in proteins, driving irreversible C-glutathionylation to repair damages in proteins, indicating its physiological importance in removing reactive electrophiles and dysregulatory effects from the proteome.
Article
Chemistry, Medicinal
Maria Chatzopoulou, Katrina S. Madden, Liam J. Bromhead, Christopher Greaves, Thomas J. Cogswell, Solange Da Silva Pinto, Sebastien R. G. Galan, Irene Georgiou, Matthew S. Kennedy, Alice Kennett, Geraint Apps, Angela J. Russell, Graham M. Wynne
Summary: Palladium-catalyzed reactions are widely used in organic synthesis, but residual metal impurities, such as palladium, may remain in the reaction products. This study quantifies for the first time the levels of residual palladium in purified reaction products and provides simple guidelines to minimize the potential risks associated with residual palladium.
ACS MEDICINAL CHEMISTRY LETTERS
(2022)