Article
Biochemistry & Molecular Biology
Lian Bai, Chunle Wei, Jian Zhang, Runjiang Song
Summary: In this study, a lead optimization was carried out using a commercial agent with antivirus activity and moroxydine hydrochloride. Several 1,3,5-triazine derivatives with piperazine structures were synthesized and evaluated for their anti-potato virus Y (PVY) activity. Compound C35 showed comparable or superior antiviral activity to the positive control and moroxydine hydrochloride, and molecular docking provided a theoretical basis for its activity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Pharmacology & Pharmacy
Leilei Wu, Yonglin Chen, Kangying Duan
Summary: In this study, a gene expression programming method was developed to predict and optimize compounds for treating osteosarcoma. The method showed excellent predictive performance and consistency, demonstrating potential for designing targeted drugs against osteosarcoma.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Chemistry, Organic
B. Ravi Shankar, V. Vijayakumar, H. Sivaramakrishnan, C. Suneel Manohar
Summary: A series of novel 2/6-aryl/heteroaryl substituted-N-(6-(trifluoromethyl)pyridin-2-yl)pyrimidin-4-amine analogues have been synthesized using a cost-effective process involving initial condensation of commercially sourced dichloropyrimidines with 2-amino-6-trifluoromethylpyridine followed by Suzuki coupling with various substituted aryl/heteroaryl boronic acids or esters. The newly synthesized compounds have been confirmed by H-1 NMR, C-13 NMR and MS analysis.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Chemistry, Medicinal
Laura Ielo, Vincenzo Patamia, Andrea Citarella, Tanja Schirmeister, Claudio Stagno, Antonio Rescifina, Nicola Micale, Vittorio Pace
Summary: The ubiquitin-proteasome pathway is the main proteolytic system in eukaryotic cells. Proteasome inhibitors are used as anticancer agents, but their side effects and resistance remain a challenge. Therefore, the development of new proteasome inhibitors with improved pharmacological characteristics is essential.
ARCHIV DER PHARMAZIE
(2023)
Article
Multidisciplinary Sciences
Mohammed Al-Zharani, Mohammed S. Al-Eissa, Hassan A. Rudayni, Daoud Ali, Saad Alkahtani, Radhakrishnan Surendrakumar, Akbar Idhayadhulla
Summary: This study focuses on nitrogen-nitrogen bond-containing compounds, specifically hydrazine derivatives, and their potential as larvicidal agents against Culex quinquefasciatus. Through a catalyst-free green chemistry approach, new 1H-pyrazolo[3,4-b]pyridin-3(2H)-one derivatives were synthesized, some of which showed higher mortality rates against the target mosquito. These compounds could serve as environmentally safe and low-toxicity candidates for insecticides.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Jing-wei Liang, Wan-qiu Li, Qing-yang Nian, Si-hua Xie, Lulu Yang, Fan-hao Meng
Summary: CDK4/6 inhibitors have shown promise as chemotherapeutic targets for treating malignant tumors, particularly in breast cancer. However, their clinical application is limited by side effects associated with their common structural skeleton. In this study, a new potential inhibitor compound was identified based on analysis of the active site characteristics of CDK6. The compound demonstrated potent inhibitory effects on CDK4 and showed promise in inhibiting breast cancer cell proliferation in vitro and in vivo.
BIOORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Meena Patel, Hillary M. Peltier, Mark A. Matulenko, John R. Koenig, Marc J. C. Scanio, Rebecca J. Gum, Odile F. El-Kouhen, Meagan M. Fricano, Greta L. Lundgaard, Torben Neelands, Xu-Feng Zhang, Cenchen Zhan, Madhavi Pai, Nayereh Ghoreishi-Haack, Thomas Hudzik, Gary Gintant, Ruth Martin, Steve McGaraughty, Jun Xu, Daniel Bow, John C. Kalvass, Philip R. Kym, David A. DeGoey, Michael E. Kort
Summary: The voltage-gated sodium channel Na(v)1.7 is a promising target for pain treatment, and the discovery of 2-substituted quinolines and quinolones as potent small molecule Na(v)1.7 blockers has shown good efficacy and analgesic effects.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Sebastiano Masuri, Maria Grazia Cabiddu, Enzo Cadoni, Tiziana Pivetta
Summary: Coumarins, a class of compounds with a 2H-chromen-2-one ring, exhibit antioxidant activities and inhibition of lipoxygenase enzymes. This study investigated 3-(pyridin-2-yl)coumarins with and without hydroxy groups, showing potent lipoxygenase activities and tunable radical scavenging properties based on the hydroxy groups. Protonation constants evaluation in aqueous solutions helped understand the absorption and biological properties of the molecules, which were affected by their protonation state and charge. Antioxidant properties and enzymatic inhibition mechanisms were discussed based on calculated thermochemical descriptors and molecular docking.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Suparna Ghosh, Seketoulie Keretsu, Seung Joo Cho
Summary: The study utilized molecular modeling techniques to analyze ROCK1 inhibitors, and identified compounds with higher predictive activity, which may aid in designing more effective ROCK1 inhibitors.
Article
Agriculture, Multidisciplinary
Zhibing Wu, Hyung-Yeon Park, Dewen Xie, Jingxin Yang, Shuaitao Hou, Nasir Shahzad, Chan Kyung Kim, Song Yang
Summary: This study investigated a series of novel SDH inhibitors for their antifungal activity against phytopathogenic fungi, showing that some compounds exhibited excellent antifungal activity. Experiment results further revealed that these compounds might work by targeting SDH.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Hao-Yue Xiang, Xiang Wang, Yan-Hong Chen, Xi Zhang, Cun Tan, Yi Wang, Yi Su, Zhi-Wei Gao, Xiao-Yan Chen, Bing Xiong, Zhao-Bing Gao, Yi Chen, Jian Ding, Ling-Hua Meng, Chun-Hao Yang
Summary: The PI3Ks pathway is commonly dysregulated in human cancers, making it a promising target for anti-cancer drugs. Compound 37 (CYH33) was identified as a selective PI3Ka inhibitor with potential anti-cancer properties, inhibiting phosphorylation of AKT to modulate the PI3K/AKT/mTOR pathway in human cancer cells. Evaluation in vivo against SKOV-3 xenograft models demonstrated dose-dependent antitumor efficacy.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Yun Ding, Xin Wang, Jing Ji, Xuejiao Zhang, Mengdi Chen, Shuling Li, Qiongyao Zhang, Ping Liu
Summary: Our study investigated the protective effects of a novel glycogen synthase kinase-3 beta (GSK-3 beta) inhibitor, 9b, on the learning and memory function of rats with amyloid-beta(1-42) induced Alzheimer's disease (AD), showing that 9b improved learning and memory dysfunction through antioxidant and antiapoptotic effects, regulating neurotransmitter concentrations and reducing brain damage caused by amyloid-beta(1-42).
ACS CHEMICAL NEUROSCIENCE
(2021)
Article
Crystallography
Zhi-Qiang Lu
Summary: The compound is C28H16Br2F6N4O2 with a triclinic crystal structure.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES
(2022)
Article
Chemistry, Medicinal
Bini Mathew, Pedro Ruiz, Shilpa Dutta, Jordan T. Entrekin, Sixue Zhang, Kaval D. Patel, Micah S. Simmons, Corinne E. Augelli-Szafran, Rita M. Cowell, Mark J. Suto
Summary: ALS is a rare neurodegenerative disease with unknown cause, characterized by the gradual degeneration of motor neurons. Mutations in SOD1 and SOD2 genes are associated with ALS. Research has shown that hybrid compounds of SRI-22819 and Ataluren may have improved therapeutic effects.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Rosita Diana, Ugo Caruso, Luigi Di Costanzo, Simona Concilio, Stefano Piotto, Lucia Sessa, Barbara Panunzi
Summary: In this study, we present a novel pH-responsive probe with a three-ring heteroaromatic pattern and a flexible cationic chain. The probe exhibits real-time naked-eye colorimetric and fluorescence response in the slightly acidic pH range and shows excellent solubility in both the organic phase and water. Additionally, the probe demonstrates significant antibacterial activity, particularly against Escherichia coli.