Article
Chemistry, Physical
Kayed Abu-Safieh, Musa El-Barghouthi, Monther A. Khanfar, Bader A. Salameh, Islam S. Al-Aqrabawi, Baker Jawabrah Al Hourani, Basem F. Ali
Summary: The title compound with three independent molecules in the asymmetric unit forms a compact 3D supramolecular structure through hydrogen bonding. Molecular docking techniques were used to study interactions with proteins and interpret cytotoxic activities against cancer cell lines. Strong interactions were observed between the title compound and a closely related structure with modifications at position 5 in the pyrazole ring.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Biruk Sintayehu Fanta, Laychiluh Mekonnen, Sunita K. C. Basnet, Theodosia Teo, Jimma Lenjisa, Nishat Z. Khair, Lianmeng Kou, Solomon Tadesse, Matthew J. Sykes, Mingfeng Yu, Shudong Wang
Summary: CDK2 deregulation is associated with various human cancers and resistance to anticancer drugs. Bioisosteric replacement of CDKI-73 by a pyrazole group yielded compounds with potent CDK2 inhibition and antiproliferative activity against cancer cell lines. The results highlight the potential of the 2-anilino-4-(1-methyl-1H- pyrazol-4-yl)pyrimidine series in developing selective CDK2 inhibitors for cancer treatment.
BIOORGANIC & MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Laila El Foujji, Khadija El Bourakadi, El Mokhtar Essassi, Rene T. Boere, Abou el Kacem Qaiss, Rachid Bouhfid
Summary: This paper reports the synthesis, characterization, and crystal structure of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-benzimidazole. The experimental and theoretical studies provide insights into the structure and properties of the compound. The research also suggests potential drug-like behavior of the molecule.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Biochemistry & Molecular Biology
Mohammed S. Abdel-Maksoud, Rasha Mohamed Hassan, Aida Abdel-Sattar El-Azzouny, Mohamed Nabil Aboul-Enein, Chang-Hyun Oh
Summary: In this study, a novel series of anticancer and anti-inflammatory compounds were designed and synthesized, with compound 11c showing the highest anticancer activity and compound 11n demonstrating the most potent anti-inflammatory effects. These compounds were further analyzed for their biological targets and structure-activity relationships, indicating potential clinical applications.
BIOORGANIC CHEMISTRY
(2021)
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
Eman A. E. El-Helw, Aya M. M. Abdelrahman, Abdelgawad A. A. Fahmi, Sameh A. A. Rizk
Summary: In this study, various compounds were synthesized and screened for their insecticidal activity. The mechanisms of action were also simulated and analyzed.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
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, Multidisciplinary
Dingfeng Luo, Haodong Bai, Xiaomao Zhou, Lamei Wu, Chengjia Zhang, Zhongchi Wu, Zuren Li, Lianyang Bai
Summary: Twenty-five derivatives containing 3-methyl-1H-pyrazol-5-yl were synthesized using intermediate derivatization methods, with compound 10a and 8l showing excellent herbicidal activity against barnyard grass in greenhouse experiments. However, their effects on rice growth safety differed. Field assays demonstrated that 10a had herbicidal activity equivalent to quinclorac, suggesting its potential as a herbicide for controlling barnyard grass in fields.
FRONTIERS IN CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Jinxin Che, Xiaoyang Dai, Jian Gao, Haichao Sheng, Wenhu Zhan, Yang Lu, Dan Li, Zizheng Gao, Zegao Jin, Binhui Chen, Peihua Luo, Bo Yang, Yongzhou Hu, Qiaojun He, Qinjie Weng, Xiaowu Dong
Summary: Inhibiting Akt2 isozyme may lead to keratinocyte apoptosis, driving the search for new selective Akt inhibitors with improved cutaneous safety. After optimization, Hu7691 shows promising selectivity, low apoptosis induction in keratinocytes, and excellent anticancer cell proliferation potency, leading to its approval by NMPA for clinical trials.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
N. J. P. Subhashini, Kolluri Prashanth Kumar, Edigi Praveen Kumar, Putta Shravani, Surya Sathyanarayana Singh, Tamalapakula Vani, Manga Vijjulatha
Summary: A series of novel derivatives were designed and synthesized for potential cytotoxic activity against human breast cancer cells, with some showing promising results in comparison to the standard drug cisplatin. Molecular modeling studies and ADME calculations were also in line with the pharmacological screening results.
MOLECULAR DIVERSITY
(2021)
Article
Biochemistry & Molecular Biology
Biruk Sintayehu Fanta, Jimma Lenjisa, Theodosia Teo, Lianmeng Kou, Laychiluh Mekonnen, Yuchao Yang, Sunita K. C. Basnet, Ramin Hassankhani, Matthew J. Sykes, Mingfeng Yu, Shudong Wang
Summary: By bioisosteric replacement, a novel series of N,4-di(1H-pyrazol-4-yl)pyrimidin-2-amines were obtained as CDK2 inhibitors. Compound 15 exhibited the most potent CDK2 inhibitory activity with selectivity over other CDKs and showed sub-micromolar antiproliferative activity against cancer cells. This study highlights the potential of N,4-di(1H-pyrazol-4-yl)pyrimidin-2-amine scaffold as potent and selective CDK2 inhibitors for cancer treatment.
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
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
Sayed K. Ramadan, Ahmed K. El-Ziaty, Eman A. E. El-Helw
Summary: A new series of quinazoline derivatives with a 1,3-diphenylpyrazole core were synthesized and some of these compounds showed significant antioxidant activity.
SYNTHETIC COMMUNICATIONS
(2021)
Article
Chemistry, Organic
Sun Changxing, Zhang Fuhao, Zhang Huan, Li Penghui, Jiang Lin
Summary: Thirteen 2-(1-methyl-1H-pyrazol-4-yl) pyrimidine-4-carboxami-des were synthesized to develop new pyrimidine fungicides. The structures of the compounds were characterized and a crystal structure was determined. Two compounds, 4f and 4j, showed high fungicidal activity against Rhizoctonia solani, with inhibitory rates of 85.3% and 79.1%, respectively. Molecular docking study revealed the interaction between 4f and succinate dehydrogenase.
CHINESE JOURNAL OF ORGANIC CHEMISTRY
(2023)
