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New imidazole-2-thiones linked to acenaphythylenone as dual DNA intercalators and topoisomerase II inhibitors: structural optimization, docking, and apoptosis studies J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-03-15 Asmaa H. Mohamed, Mohammed B. Alshammari, Ashraf A. Aly, Kamal U. Sadek, Akil Ahmad, Eman A. Aziz, Amira F. El-Yazbi, Eman J. El-Agroudy, Marwa E. Abdelaziz
In this article, a new series of 2-((3,5-disubstituted-2-thioxo-imidazol-1-yl)imino)acenaphthylen-1(2H)-ones were synthesized. Imidazole-2-thione with acenaphthylen-one gave a hybrid scaffold that ...
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Elucidation of critical chemical moieties of metallo-β-lactamase inhibitors and prioritisation of target metallo-β-lactamases J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-03-15 Jung Hun Lee, Sang-Gyu Kim, Kyung-Min Jang, Kyoungmin Shin, Hyeonku Jin, Dae-Wi Kim, Byeong Chul Jeong, Sang Hee Lee
The urgent demand for effective countermeasures against metallo-β-lactamases (MBLs) necessitates development of novel metallo-β-lactamase inhibitors (MBLIs). This study is dedicated to identifying ...
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Discovery of novel anaplastic lymphoma kinase (ALK) and histone deacetylase (HDAC) dual inhibitors exhibiting antiproliferative activity against non-small cell lung cancer J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-03-11 Kang-Li Wang, Tsung-Yu Yeh, Pei-Chen Hsu, Tzu-Hsuan Wong, Jia-Rong Liu, Ji-Wang Chern, Miao-Hsia Lin, Chao-Wu Yu
A series of novel benzimidazole derivatives were designed and synthesised based on the structures of reported oral available ALK inhibitor and HDAC inhibitor, pracinostat. In enzymatic assays, comp...
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Design, synthesis, in vitro and in vivo biological evaluation of pterostilbene derivatives for anti-inflammation therapy J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-29 Liuzeng Chen, Ke Wang, Xiaohan Liu, Lifan Wang, Hui Zou, Shuying Hu, Lingling Zhou, Rong Li, Shiying Cao, Banfeng Ruan, Quanren Cui
Pterostilbene (PST) is a naturally derived stilbene compound in grapes, blueberries, and other fruits. It is also a natural dietary compound with a wide range of biological activities such as antio...
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Boronic acid inhibitors of penicillin-binding protein 1b: serine and lysine labelling agents J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-27 Levente Kollár, Katarina Grabrijan, Martina Hrast Rambaher, Krištof Bozovičar, Tímea Imre, György G. Ferenczy, Stanislav Gobec, György M. Keserű
Penicillin-binding proteins (PBPs) contribute to bacterial cell wall biosynthesis and are targets of antibacterial agents. Here, we investigated PBP1b inhibition by boronic acid derivatives. Chemic...
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o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2 J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-28 Md. Habibur Rahaman, Sara J. Thygesen, Michael J. Maxwell, Hyoyoung Kim, Prerna Mudai, Jeffrey D. Nanson, Xinying Jia, Parimala R. Vajjhala, Andrew Hedger, Irina Vetter, Thomas Haselhorst, Avril A. B. Robertson, Brian Dymock, Thomas Ve, Mehdi Mobli, Katryn J. Stacey, Bostjan Kobe
Toll-like receptor (TLR) innate immunity signalling protects against pathogens, but excessive or prolonged signalling contributes to a range of inflammatory conditions. Structural information on th...
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Design, synthesis, and evaluation of cyclic C7-bridged monocarbonyl curcumin analogs containing an o-methoxy phenyl group as potential agents against gastric cancer J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-22 Xin Gan, Yuna Wu, Min Zhu, Bo Liu, Miaomiao Kong, Zixuan Xi, Ke Li, Haibao Wang, Tiande Su, Jiali Yao, Fatehi Khushafah, Baozhu Yi, Jiabing Wang, Wulan Li, Jianzhang Wu
The structure-activity relationship (SAR) between toxicity and the types of linking ketones of C7 bridged monocarbonyl curcumin analogs (MCAs) was not clear yet. In the pursuit of effective and les...
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Novel anti-neuroinflammatory pyranone-carbamate derivatives as selective butyrylcholinesterase inhibitors for treating Alzheimer’s disease J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-16 Chuanyu Yu, Xueyan Liu, Bingxiang Ma, Jiexin Xu, Yiquan Chen, Chaoxian Dai, Huaping Peng, Daijun Zha
Butyrylcholinesterase (BuChE) and neuroinflammation have recently emerged as promising therapeutic directions for Alzheimer’s disease (AD). Herein, we synthesised 19 novel pyranone-carbamate deriva...
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Design, synthesis, molecular modelling and biological evaluation of novel 6-amino-5-cyano-2-thiopyrimidine derivatives as potent anticancer agents against leukemia and apoptotic inducers J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-13 Naglaa M. Ahmed, Mosaad S. Mohamed, Samir M. Awad, Rania H. Abd El-Hameed, Neama A. Abd El-tawab, Mohamed S. Gaballah, Ahmed M. Said
Herein, a novel series of 6-amino-5-cyano-2-thiopyrimidines and condensed pyrimidines analogues were prepared. All the synthesized compounds (1a-c, 2a-c, 3a-c, 4a-r and 5a-c) were evaluated for in ...
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Development of certain benzylidene coumarin derivatives as anti-prostate cancer agents targeting EGFR and PI3Kβ kinases J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-13 Mohamed Elagawany, Lina M. A. Abdel Ghany, Tarek S. Ibrahim, Abdulrhman S. Alharbi, Mohamed S. Abdel-Aziz, Eman M. El-labbad, Noha Ryad
Novel coumarin derivatives were synthesised and tested for their cytotoxicity against human cancer cells (PC-3 and MDA-MB-231). Compounds 5, 4b, and 4a possessed potent cytotoxic activity against P...
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Design, synthesis, and apoptotic antiproliferative action of new 1,2,3-triazole/1,2,4-oxadiazole hybrids as dual EGFR/VEGFR-2 inhibitors J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-02-07 Mohamed A. Mahmoud, Anber F. Mohammed, Ola I. A. Salem, Tahani Mazyad Almutairi, Stefan Bräse, Bahaa G. M. Youssif
A novel series of 1,2,3-triazole/1,2,4-oxadiazole hybrids (7a–o) was developed as dual inhibitors of EGFR/VEGFR-2. Compounds 7a–o were evaluated as antiproliferative agents with Erlotinib as the re...
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Discovery of new thymol-3,4-disubstituted thiazole hybrids as dual COX-2/5-LOX inhibitors with in vivo proof J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-30 Mostafa M. M. El-Miligy, Ahmed K. Al-Kubeisi, Rasha A. Nassra, Saad R. El-Zemity, Aly A. Hazzaa
New thymol–3,4-disubstitutedthiazole hybrids were synthesised as dual COX-2/5-LOX inhibitors. Compounds 6b, 6d, 6e, and 6f displayed in vitro inhibitory activity against COX-2 (IC50= 0.037, 0.042, ...
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Discovery of novel and potent CDK8 inhibitors for the treatment of acute myeloid leukaemia J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-23 Zhuoying Chen, Quan Wang, Yao Yao Yan, Dalong Jin, Yumeng Wang, Xing Xing Zhang, Xin Hua Liu
It has been reported that CDK8 plays a key role in acute myeloid leukaemia. Here, a total of 40 compounds were rational designed and synthesised based on the previous SAR. Among them, compound 12 (...
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Computational fragment-based drug design of potential Glo-I inhibitors J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-22 Roaa S. Bibars, Qosay A. Al-Balas
In this study, a fragment-based drug design approach, particularly de novo drug design, was implemented utilising three different crystal structures in order to discover new privileged scaffolds ag...
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Isolation, structure modification, and anti-rheumatoid arthritis activity of isopimarane-type diterpenoids from Orthosiphon aristatus J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-17 Yong-Xin Luo, Xu Gong, Zhi-Cheng Su, Jin-Feng Mo, Dong-Li Li, Ri-Hui Wu, Jing-Wei Jin, Ming Lang, Jin-Ping Wang, Xue-Tao Xu, Li-She Gan
Orthosiphon aristatus is a well-known folkloric medicine and herb for Guangdong soup for the treatment of rheumatism in China. Eight isopimarane-type and migrated pimarane-type diterpenoids (1-8), ...
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Identification of potential inhibitors against Staphylococcus aureus shikimate dehydrogenase through virtual screening and susceptibility test J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-17 Mengfan Zhu, Jinfeng Qu, Qi Deng
Staphylococcus aureus shikimate dehydrogenase (SaSDH) plays a crucial role in the growth of Staphylococcus aureus (S. aureus), but absent in mammals and therefore a potential target for antibacteri...
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Imparting aromaticity to 2-pyridone derivatives by O-alkylation resulted in new competitive and non-competitive PIM-1 kinase inhibitors with caspase-activated apoptosis J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-17 Marwa E. Abdelaziz, Mostafa M. M. El-Miligy, Salwa M. Fahmy, Marwa M. Abu-Serie, Aly A. Hazzaa, Mona A. Mahran
New aromatic O-alkyl pyridine derivatives were designed and synthesised as Proviral Integration Moloney (PIM)-1 kinase inhibitors. 4c and 4f showed potent in vitro anticancer activity against NFS-6...
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Design, synthesis, and bioevaluation of 1h-pyrrolo[3,2-c]pyridine derivatives as colchicine-binding site inhibitors with potent anticancer activities J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-14 Chao Wang, Yujing Zhang, Shanbo Yang, Lingyu Shi, Rong Rong, Tingting Zhang, Yudong Wu, Dongming Xing
A new series of 1H-pyrrolo[3,2-c]pyridine derivatives were designed and synthesised as colchicine-binding site inhibitors. Preliminary biological evaluations showed that most of the target compound...
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Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-14 Ivana Nemčovičová, Katarína Lopušná, Iveta Štibrániová, Fabio Benedetti, Federico Berti, Fulvia Felluga, Sara Drioli, Mattia Vidali, Jaroslav Katrlík, Lucia Pažitná, Alena Holazová, Jana Blahutová, Simona Lenhartová, Monika Sláviková, Boris Klempa, Miroslav Ondrejovič, Daniela Chmelová, Barbora Legerská, Stanislav Miertuš, Mária Klacsová, Daniela Uhríková, Lukáš Kerti, Vladimír Frecer
The viral genome of the SARS-CoV-2 coronavirus, the aetiologic agent of COVID-19, encodes structural, non-structural, and accessory proteins. Most of these components undergo rapid genetic variatio...
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Palindromic carbazole derivatives: unveiling their antiproliferative effect via topoisomerase II catalytic inhibition and apoptosis induction J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-14 Mateusz Olszewski, Natalia Maciejewska, Anoop Kallingal, Agnieszka Chylewska, Aleksandra M. Dąbrowska, Małgorzata Biedulska, Mariusz Makowski, José M. Padrón, Maciej Baginski
Human DNA topoisomerases are essential for crucial cellular processes, including DNA replication, transcription, chromatin condensation, and maintenance of its structure. One of the significant str...
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Development of novel ALOX15 inhibitors combining dual machine learning filtering and fragment substitution optimisation approaches, molecular docking and dynamic simulation methods J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-12 Yinglin Liao, Peng Cao, Lianxiang Luo
The oxidation of unsaturated lipids, facilitated by the enzyme Arachidonic acid 15-lipoxygenase (ALOX15), is an essential element in the development of ferroptosis. This study combined a dual-score...
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Druggable cavities and allosteric modulators of the cell division cycle 7 (CDC7) kinase J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2024-01-11 Elisa Rojas-Prats, Loreto Martinez-Gonzalez, Carmen Gil, David Ramírez, Ana Martinez
Cell division cycle 7 kinase (CDC7) has been found overexpressed in many cancer cell lines being also one of the kinases involved in the nuclear protein TDP-43 phosphorylation in vivo. Thus, inhibi...
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Anti-cancer activity and cellular uptake of 7,3′,4′- and 7,8,4′-trihydroxyisoflavone in HepG2 cells under hypoxic conditions J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-28 Wen-Sheng Tzeng, Wei-Lin Teng, Pao-Hsien Huang, Feng-Lin Yen, Yow-Ling Shiue
Transarterial chemoembolisation (TACE) is used for unresectable hepatocellular carcinoma (HCC) treatment, but TACE-induced hypoxia leads to poor prognosis. The anti-cancer effects of soybean isofla...
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Discovery of novel and potent dual-targeting AXL/HDAC2 inhibitors for colorectal cancer treatment via structure-based pharmacophore modelling, virtual screening, and molecular docking, molecular dynamics simulation studies, and biological evaluation J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-22 Xiao Qiao, Xiangyu Wu, Shutong Chen, Miao-Miao Niu, Huilian Hua, Yan Zhang
Colorectal cancer (CRC) is one of the most common cancers worldwide. Nowadays, owing to the complex mechanism of tumorigenesis, simultaneous inhibition of multiple targets is an important anticance...
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Correction J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-21
Published in Journal of Enzyme Inhibition and Medicinal Chemistry (Vol. 39, No. 1, 2024)
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Dihydroartemisinin enhances the anti-tumour effect of photodynamic therapy by targeting PKM2-mediated glycolysis in oesophageal cancer cell J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-18 Mengru Jin, Luyao Shi, Li Wang, Dingyuan Zhang, Yanjing Li
Photodynamic therapy (PDT) has been demonstrated to provide immediate relief of oesophageal cancer patients’ re-obstruction and extend their lifespan. However, tumour regrowth may occur after PDT d...
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Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-12 Zorana Ferjancic, Filip Bihelovic, Bojan Vulovic, Radomir Matovic, Milena Trmcic, Aleksandar Jankovic, Milos Pavlovic, Filip Djurkovic, Radivoje Prodanovic, Aleksandra Djurdjevic Djelmas, Nevena Kalicanin, Mario Zlatovic, Dusan Sladic, Thomas Vallet, Marco Vignuzzi, Radomir N. Saicic
We developed new iminosugar-based glycosidase inhibitors against SARS-CoV-2. Known drugs (miglustat, migalastat, miglitol, and swainsonine) were chosen as lead compounds to develop three classes of...
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Novel isobavachalcone derivatives induce apoptosis and necroptosis in human non-small cell lung cancer H1975 cells J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-12 Jie Chen, Long Zhao, Meng-Fan Xu, Di Huang, Xiao-Long Sun, Yu-Xin Zhang, Hong-Mei Li, Cheng-Zhu Wu
In this study, seventeen isobavachalcone (IBC) derivatives (1–17) were synthesised, and evaluated for their cytotoxic activity against three human lung cancer cell lines. Among these derivatives, c...
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Glutaminase inhibition as potential cancer therapeutics: current status and future applications J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Rajath Cyriac, Kwangho Lee
Alterations in normal metabolic processes are defining features of cancer. Glutamine, an abundant amino acid in the human blood, plays a critical role in regulating several biosynthetic and bioener...
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Development of potent and effective SARS-CoV-2 main protease inhibitors based on maleimide analogs for the potential treatment of COVID-19 J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-13 Karol Biernacki, Olga Ciupak, Mateusz Daśko, Janusz Rachon, Damian Flis, Justyna Budka, Iwona Inkielewicz-Stępniak, Anna Czaja, Janusz Rak, Sebastian Demkowicz
In the present work, we report a new series of potent SARS-CoV-2 Main Protease (Mpro) inhibitors based on maleimide derivatives. The inhibitory activities were tested in an enzymatic assay using re...
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Comparative metabolic study of the chloroform fraction of three Cystoseira species based on UPLC/ESI/MS analysis and biological activities J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-12 Shaza H. Aly, Ahmed M. Elissawy, Mahmoud A. El Hassab, Taghreed A. Majrashi, Fatma E. Hassan, Eslam B. Elkaeed, Wagdy M. Eldehna, Abdel Nasser B. Singab
This study aims to investigate the phytoconstituents of the chloroform fraction of three Cystoseira spp. namely C. myrica, C. trinodis, and C. tamariscifolia using UPLC/ESI/MS technique. The result...
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Design, synthesis, and biological evaluation of piperazine derivatives involved in the 5-HT1AR/BDNF/PKA pathway J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Hao Zhou, Mengjiao Li, Hui Liu, Zheng Liu, Xuekun Wang, Shiben Wang
In this study, four series of piperazine derivatives were designed, synthesised and subjected to biological test, and compound 6a with potential antidepressant activity was obtained. An affinity as...
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Ligand-based pharmacophore modelling, structure optimisation, and biological evaluation for the identification of 2-heteroarylthio-N-arylacetamides as novel HSP90 C-terminal inhibitors J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Yajun Liu, Chenyao Li, Yajing Li, Shuming Zhang, Ning Zhang, Xiaobo Bian, Shutao Tan
Targeting Heat shock protein 90 (HSP90) C-terminus is an important strategy to develop HSP90 inhibitors without inducing heat shock response. The development of C-terminal inhibitors, however, is h...
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9,10-Dioxoanthracenyldithiocarbamates effectively inhibit the proliferation of non-small cell lung cancer by targeting multiple protein tyrosine kinases J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Mateusz Olszewski, Maryna Stasevych, Viktor Zvarych, Natalia Maciejewska
Anthraquinones have attracted considerable interest in the realm of cancer treatment owing to their potent anticancer properties. This study evaluates the potential of a series of new anthraquinone...
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Discovery of LAH-1 as potent c-Met inhibitor for the treatment of non-small cell lung cancer J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Lijie Sima, Zhongyuan Wang, Ling Yu, Youli Hou, Dongsheng Zhao, Bilan Luo, Weike Liao, Xinfu Liu
Dysregulated HGF/c-Met pathway has been implicated in multiple human cancers and has become an attractive target for cancer intervention. Herein, we report the discovery of N-(3-fluoro-4-((2-(3-hyd...
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Synthesis biological evaluation and molecular docking of isatin hybrids as anti-cancer and anti-microbial agents J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Mohammad Altamimi, Saeed Ali Syed, Burak Tuzun, Mohammad Rashid Alhazani, Osamah Alnemer, Ahmed Bari
Isatin, known as 1H-indole-2,3-dione, was originally recognised as a synthetic molecule until its discovery in the fruits of the cannonball tree, Couroupita guianensis. It is naturally occurring in...
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Acetazolamide and human carbonic anhydrases: retrospect, review and discussion of an intimate relationship J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Dimitrios Tsikas
Acetazolamide (AZM) is a strong pharmacological sulphonamide-type (R-SO2-NH2, pKa 7.2) inhibitor of the activity of several carbonic anhydrase (CA) isoforms, notably of renal CA II (Ki, 12 nM) and ...
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3-aryl-4-(3,4,5-trimethoxyphenyl)pyridines inhibit tubulin polymerisation and act as anticancer agents J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-11 Chao Wang, Yujing Zhang, Shanbo Yang, Lingyu Shi, Yutao Xiu, Yudong Wu, Hongfei Jiang
A series of cis-restricted 3-aryl-4-(3,4,5-trimethoxyphenyl)pyridines as novel tubulin polymerisation inhibitors was designed based on molecular docking. Compound 9p, exhibited potent antiprolifera...
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Novel tetrahydronaphthalen-1-yl-phenethyl ureas: synthesis and dual antibacterial-anticancer activities J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Yusuf Akbaba, Fatma Necmiye Kacı, Mehmet Enes Arslan, Süleyman Göksü, Adil Mardinoğlu, Hasan Türkez
Cancer and antibiotic-resistant bacterial infections are significant global health challenges. The resistance developed in cancer treatments intensifies therapeutic difficulties. In addressing thes...
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Searching for novel MDM2/MDMX dual inhibitors through a drug repurposing approach J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Keting Li, Wenshu Hu, Yingjie Wang, Wenxing Chen, Hongmei Wen, Jian Liu, Wei Li, Bo Wang
Disruption of p53-MDM2/MDMX interaction by smaller inhibitors is a promising therapeutic intervention gaining tremendous interest. However, no MDM2/MDMX inhibitors have been marketed so far. Drug r...
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Novel dual-targeting inhibitors of NSD2 and HDAC2 for the treatment of liver cancer: structure-based virtual screening, molecular dynamics simulation, and in vitro and in vivo biological activity evaluations J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Xing Jin, Yuting Wang, Jing Chen, Miaomiao Niu, Yang Yang, Qiaoxuan Zhang, Guangyu Bao
Liver cancer exhibits a high degree of heterogeneity and involves intricate mechanisms. Recent research has revealed the significant role of histone lysine methylation and acetylation in the epigen...
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Suppression of lipopolysaccharide-induced COX-2 expression via p38MAPK, JNK, and C/EBPβ phosphorylation inhibition by furomagydarin A, a benzofuran glycoside from Magydaris pastinacea J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Shiu-Wen Huang, Ming Jen Hsu, Hsiu-Chen Chen, Rita Meleddu, Simona Distinto, Elias Maccioni, Filippo Cottiglia
The phytochemical investigation of the methanol extract of the seeds of Magydaris pastinacea afforded two undescribed benzofuran glycosides, furomagydarins A-B (1, 2), together with three known cou...
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Design and synthesis of doublecortin-like kinase 1 inhibitors and their bioactivity evaluation J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Pengming Pan, Dengbo Ji, Zhongjun Li, Xiangbao Meng
Doublecortin-like kinase 1 (DCLK) is a microtubule-associated serine/threonine kinase that is upregulated in a wide range of cancers and is believed to be related to tumour growth and development. ...
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Identification of putative allosteric inhibitors of BCKDK via virtual screening and biological evaluation J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Chunqiong Li, Quanjun Yang, Li Zhang
Abnormal accumulation of branched-chain amino acids (BCAAs) can lead to metabolic diseases and cancers. Branched-chain α-keto acid dehydrogenase kinase (BCKDK) is a key negative regulator of BCAA c...
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Evaluation of N-alkyl isatins and indoles as acetylcholinesterase and butyrylcholinesterase inhibitors J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-12-07 Kaitlyn N. Alcorn, Isabelle A. Oberhauser, Matthew D. Politeski, Todd J. Eckroat
Two series of N-alkyl isatins and N-alkyl indoles varying in size of the alkyl group were synthesised and evaluated for inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). A...
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New pyrazolyl-thiazolidinone/thiazole derivatives as celecoxib/dasatinib analogues with selective COX-2, HER-2 and EGFR inhibitory effects: design, synthesis, anti-inflammatory/anti-proliferative activities, apoptosis, molecular modelling and ADME studies J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-27 Wael A. A. Fadaly, Taha H. Zidan, Nesma M. Kahk, Fatma E. A. Mohamed, Marwa M. Abdelhakeem, Rehab G. Khalil, Mohamed T. M. Nemr
Two new series of pyrazolyl-thiazolidinone/thiazole derivatives 16a–b and 18a–j were synthesised, merging the scaffolds of celecoxib and dasatinib. Compounds 16a, 16b and 18f inhibit COX-2 with S.I...
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New spiro-indeno[1,2-b]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-23 Assem Barakat, Saeed Alshahrani, Abdullah Mohammed Al-Majid, Abdullah Saleh Alamary, Matti Haukka, Marwa M. Abu-Serie, Luis R. Domingo, Sajda Ashraf, Zaheer Ul-Haq, Mohamed S. Nafie, Mohamed Teleb
Despite the crucial role of CDK2 in tumorigenesis, few inhibitors reached clinical trials for managing lung cancer, the leading cause of cancer death. Herein, we report combinatorial stereoselectiv...
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Inhibition of pathogenic bacterial carbonic anhydrases by monothiocarbamates J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-23 Simone Giovannuzzi, Anil Kumar Marapaka, Nader S. Abutaleb, Fabrizio Carta, Hsin-Wen Liang, Alessio Nocentini, Luigi Pisano, Mohamed N. Seleem, Daniel P. Flaherty, Claudiu T. Supuran
Carbonic anhydrases (CAs) from the pathogenic bacteria Nesseria gonorrhoeae and vancomycin-resistant enterococci (VRE) have recently been validated as antibacterial drug targets. Here we explored t...
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Synthesis, biological evaluation, and computational studies of N-benzyl pyridinium–curcumin derivatives as potent AChE inhibitors with antioxidant activity J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-20 Nafisah M. Al-Rifai, Nemeh M. Al-Khalileh, Jalal A. Zahra, Musa I. El-Barghouthi, Fouad H. Darras
A library of N-benzylpyridinium-based compounds, 7a-j and 8a-j, was designed and synthesised as potential acetylcholinesterase) AChE (inhibitors. An in vitro assay for the synthesised compounds sho...
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The multifaceted nature of plant acid phosphatases: purification, biochemical features, and applications J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-20 Lokesh Sharma, Amol Kahandal, Anant Kanagare, Atul Kulkarni, Chandrakant K. Tagad
Acid phosphatases (EC 3.1.3.2) are the enzymes that catalyse transphosphorylation reactions and promotes the hydrolysis of numerous orthophosphate esters in acidic media, as a crucial element for t...
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Fluorine and chlorine substituted adamantyl-urea as molecular tools for inhibition of human soluble epoxide hydrolase with picomolar efficacy J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-17 Vladimir V. Burmistrov, Christophe Morisseau, Dmitry V. Danilov, Boris P. Gladkikh, Vladimir S. D’yachenko, Nikolay A. Zefirov, Olga N. Zefirova, Gennady M. Butov, Bruce D. Hammock
Series of 1,3-disubstituted ureas and diadamantyl disubstituted diureas with fluorinated and chlorinated adamantane residues were shown to inhibit human soluble epoxide hydrolase (sEH) with inhibit...
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Novel N-Arylmethyl-aniline/chalcone hybrids as potential VEGFR inhibitors: synthesis, biological evaluations, and molecular dynamic simulations J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-20 Hesham Haffez, Nosaiba A. Elsayed, Marwa F. Ahmed, Samar S. Fatahala, Eman F. Khaleel, Rehab Mustafa Badi, Eslam B. Elkaeed, Mahmoud A. El Hassab, Sherif F. Hammad, Wagdy M. Eldehna, Nicolas Masurier, Radwan El-Haggar
Significant advancements have been made in the domain of targeted anticancer therapy for the management of malignancies in recent times. VEGFR-2 is characterised by its pivotal involvement in angio...
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New dammarane-type triterpenoids from hydrolyzate of total Gynostemma pentaphyllum saponins with protein tyrosine phosphatase 1B inhibitory activity J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-15 Daopeng Tan, Jianmei Wang, Xianting Wang, Lin Qin, Yimei Du, Changkuo Zhao, Peijun Liu, Qianru Zhang, Feifei Ma, Jian Xie, Di Wu, Yuqi He
Protein tyrosine phosphatase 1B (PTP1B) is a key factor and regulator of glucose, lipid metabolism throughout the body, and a promising target for treatment of type 2 diabetes mellitus (T2DM). Gyno...
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Methotrexate, an anti-inflammatory drug, inhibits Hepatitis E viral replication J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-17 Akash Kumar, Preeti Hooda, Anindita Puri, Radhika Khatter, Mohammed S. Al-Dosari, Neha Sinha, Mohammad K. Parvez, Deepak Sehgal
Hepatitis E Virus (HEV) is a positively oriented RNA virus having a 7.2 kb genome. HEV consists of three open reading frames (ORF1-3). Of these, ORF1 codes for the enzymes Methyltransferase (Mtase)...
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A novel N-heterocycles substituted oseltamivir derivatives as potent inhibitors of influenza virus neuraminidase: discovery, synthesis and biological evaluation J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-13 Jiwei Zhang, Chuanfeng Liu, Ruifang Jia, Xujie Zhang, Jian Zhang, Chiara Bertagnin, Anna Bonomini, Laura Guizzo, Yuanmin Jiang, Huinan Jia, Shuzhen Jia, Xiuli Ma, Arianna Loregian, Bing Huang, Peng Zhan, Xinyong Liu
Our previous studies have shown that the introduction of structurally diverse benzyl side chains at the C5-NH2 position of oseltamivir to occupy 150-cavity contributes to the binding affinity with ...
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Novel harmine derivatives as potent acetylcholinesterase and amyloid beta aggregation dual inhibitors for management of Alzheimer’s disease J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-15 Hongtao Du, Jinzhi Song, Fang Ma, Hongxin Gao, Xinyan Zhao, Renjun Mao, Xiaolong He, Yan Yan
In this study, a series of potential ligands for the treatment of AD were synthesised and characterised as novel harmine derivatives modified at position 9 with benzyl piperazinyl. In vitro studies...
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Biotin conjugates in targeted drug delivery: is it mediated by a biotin transporter, a yet to be identified receptor, or (an)other unknown mechanism(s)? J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-13 Ravi Tripathi, Anchala Guglani, Rujuta Ghorpade, Binghe Wang
Conjugation of drugs with biotin is a widely studied strategy for targeted drug delivery. The structure–activity relationship (SAR) studies through H3-biotin competition experiments conclude with t...
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Latest advances in dual inhibitors of acetylcholinesterase and monoamine oxidase B against Alzheimer’s disease J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-13 Dajiang Zou, Renzheng Liu, Yangjing Lv, Jianan Guo, Changjun Zhang, Yuanyuan Xie
Alzheimer’s disease (AD) is a progressive brain disease characterised by progressive memory loss and cognition impairment, ultimately leading to death. There are three FDA-approved acetylcholineste...
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Recent progress in discovery of novel AAK1 inhibitors: from pain therapy to potential anti-viral agents J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-13 Ying-Hui Yuan, Nian-Dong Mao, Ji-Long Duan, Hang Zhang, Carmen Garrido, Frédéric Lirussi, Yuan Gao, Tian Xie, Xiang-Yang Ye
Adaptor associated kinase 1 (AAK1), a member of the Ark1/Prk1 family of Ser/Thr kinases, is a specific key kinase regulating Thr156 phosphorylation at the μ2 subunit of the adapter complex-2 (AP-2)...
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Flavone-based dual PARP-Tubulin inhibitor manifesting efficacy against endometrial cancer J. Enzyme Inhib. Med. Chem. (IF 5.6) Pub Date : 2023-11-02 Sachin Sharma, Kavya Chandra, Aliva Naik, Anamika Sharma, Ram Sharma, Amandeep Thakur, Ajmer Singh Grewal, Ashwani K. Dhingra, Arnab Banerjee, Jing Ping Liou, Santosh Kumar Guru, Kunal Nepali
Structural tailoring of the flavone framework (position 7) via organopalladium-catalyzed C–C bond formation was attempted in this study. The impact of substituents with varied electronic effects (p...