Article
Chemistry, Multidisciplinary
Vaishali, Chandi C. C. Malakar, Virender Singh
Summary: A potential three component reaction strategy has been developed to synthesize nature inspired beta-carboline N-fused pyrroles with pyridine tethers. High yields of these scaffolds were obtained via a one-pot cascade regioselective reaction under Cu(ii)-catalysis. A library of 32 novel indolizino[8,7-b]indole derivatives with pyridine tethers has been successfully created. The protocol offers excellent regioselectivity, high atom-economy and significant structural diversity.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Organic
Tong-Yang Cao, Lin Qi, Li-Jing Wang
Summary: We describe a facile switchable regioselective 7-endo or 6-exo iodocyclization of O-homoallyl benzimidates, which provides a controllable synthesis of various iodo-substituted 1,3-oxazines and tetrahydro-1,3-oxazepines. These products can undergo further substitution reactions to yield a series of functionalized heterocyclic compounds. The developed protocol offers mild conditions, simplicity in operation, and excellent compatibility with functional groups.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Minjie Deng, Peipei Wang, Xiubing Long, Gaoya Xu, Chang Wang, Jia Li, Yubo Zhou, Tao Liu
Summary: A series of 2-aminothiazole derivatives were designed and synthesized, and their CHK1 inhibitory activity was evaluated. Most of these compounds showed potent CHK1 inhibition and excellent antiproliferative activity against MV-4-11 and Z-138 cell lines. Structure-activity relationship studies led to the discovery of compound 8n, which exhibited promising CHK1 inhibitory activity and selective inhibition of CHK1 autophosphorylation.
Article
Chemistry, Medicinal
Huan He, Qi Liu, Lu Chen, Jie Wang, Yuan Yuan, Honglin Li, Xuhong Qian, Zhenjiang Zhao, Zhuo Chen
Summary: This article describes the design and synthesis of a new series of pteridine-7(8H)-one derivatives as selective CDK4/6 inhibitors, which showed significant antitumor activity and good selectivity.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Organic
Sabina Yashmin, Santa Mondal, Riyanka Das, Priyabrata Banerjee, Abu Taleb Khan
Summary: A regioselective synthetic strategy for 6-aryl-8,9-dihydrobenzo[c]phenanthridine-10(7H)-ones was accomplished by fine-tuning the reaction temperature. The strategy involved introducing a carbonyl functionality regioselectively at the C-10 position of the benzophenanthridine backbone via a one-pot four-component reaction. Additionally, some compounds were identified as potential 'naked eye' colorimetric chemosensors for fluoride, with reversible properties suitable for combinatorial INHIBIT logic gate formulation.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Jian Yao, Yudong Yin, Hong Han, Shaoting Chen, Yuxiang Zheng, Benji Liang, Mengyue Wu, Kangqi Shu, Bikash Debnath, David B. Lombard, Quande Wang, Keguang Cheng, Nouri Neamati, Yanghan Liu
Summary: In this study, a novel SIRT5-selective inhibitor was identified and optimized, resulting in compound 47 with 100-fold improved potency. Compound 47 showed substantial selectivity for SIRT5 and acted as a substrate-competitive inhibitor. These findings provide possibilities for further research and development of therapeutic tools and drugs.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Organic
Bo Fang, Chunsheng Hu, Yong Ding, Hongxia Qin, Yafei Luo, Zhigang Xu, Jiangping Meng, Zhongzhu Chen
Summary: The study found a new compound scaffold with potential therapeutic effects on colon cancer, which was optimized based on cellular activity and pharmacophore models. The compounds demonstrated excellent inhibitory activity against colon cancer cells, with the most active compound inducing cell apoptosis by inhibiting a specific enzyme activity.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Rui Zhang, Heng Li, Xianglei Zhang, Jian Li, Haixia Su, Qiukai Lu, Guangyu Dong, Huixia Dou, Chen Fan, Zhanni Gu, Qianwen Mu, Wei Tang, Yechun Xu, Hong Liu
Summary: A series of novel tetrahydroisoquinoline derivatives were developed and compound 36 exhibited significant inhibitory effects against PDE4D enzymatic activity and TNF-α release, showing more significant efficacy in improving psoriasis-like skin inflammation compared to calcipotriol.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Organic
Shen Menghan, Li Laiqiang, Zhou Quan, Wang Jiehui, Wang Lei
Summary: A feasible methodology for oxidative cross-coupling between quinoxalinones and electron-rich aromatic rings (pyrroles or indoles) has been developed. By using the commercially available photocatalyst 4Mes-Acr-Me+ClO4- (3 mol%) as catalyst and air as external oxidant, the oxidative coupling products of quinolones and pyrrole derivatives were obtained with high yields. The protocol provides effective access to versatile quinoxalinones-pyrrole derivatives with broad functional group tolerance, efficient conversion, and easy handling. Fluorescent quenching experiments demonstrated that the quenching rate constant of electron-rich aromatic rings was nearly one order of magnitude larger than that of electron-deficient quinoxalinones.
CHINESE JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Oncology
Faisal Fa'ak, Maryam Buni, Adewunmi Falohun, Huifang Lu, Juhee Song, Daniel H. Johnson, Chrystia M. Zobniw, Van A. Trinh, Muhammad Osama Awiwi, Nourel Hoda Tahon, Khaled M. Elsayes, Kaysia Ludford, Emma J. Montazari, Julia Chernis, Maya Dimitrova, Sabina Sandigursky, Jeffrey A. Sparks, Osama Abu-Shawer, Osama Rahma, Uma Thanarajasingam, Ashley M. Zeman, Rafee Talukder, Namrata Singh, Sarah H. Chung, Petros Grivas, May Daher, Ala Abudayyeh, Iman Osman, Jeffrey Weber, Jean H. Tayar, Maria E. Suarez-Almazor, Noha Abdel-Wahab, Adi Diab
Summary: This retrospective study evaluated the safety and effectiveness of anti-interleukin-6 receptor (anti-IL-6R) therapy for immune-related adverse events (irAEs). The results showed that anti-IL-6R treatment can improve irAEs without hindering antitumor immunity.
JOURNAL FOR IMMUNOTHERAPY OF CANCER
(2023)
Article
Biochemistry & Molecular Biology
Xiao Liang, Xue Li, Zhiyuan Zhao, Yiming Nie, Zefu Yao, Wandi Ren, Xinying Yang, Xuben Hou, Hao Fang
Summary: In this study, a series of hydantoin derivatives were designed and synthesized as novel Mcl-1 inhibitors. Compound M23 and M24 showed good binding affinities against Mcl-1. Additionally, these compounds exhibited good selectivity and stability.
BIOORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Akash P. Sakla, Biswajit Panda, Ashutosh Mahale, Pravesh Sharma, Kritika Laxmikeshav, Mursalim Ali Khan, Onkar Prakash Kulkarni, Chandraiah Godugu, Nagula Shankaraiah
Summary: In this study, regiospecific nucleophilic ring-opening of spiroaziridine oxindoles was performed to synthesize 3-substituted-thiooxindole derivatives as anticancer agents. Among the new compounds, 7d and 9c showed promising cytotoxic activity against HCT-116 cells with IC50 values of 6.73 ± 0.36 and 6.64 ± 0.95 μM, respectively. Further studies demonstrated significant alterations in nuclear and morphological characteristics, loss of mitochondrial membrane potential, and cell cycle arrest in G2-M phase for compound 9c. In addition, compound 9c exhibited tubulin polymerase inhibition with an IC50 value of 9.73 ± 0.18 μM, supported by docking interactions with tubulin.
BIOORGANIC & MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Yanghan Liu, Bikash Debnath, Surinder Kumar, David B. Lombard, Nouri Neamati
Summary: The compound 11 is a novel SIRT5-selective inhibitor with potential therapeutic effects, especially in cancer treatment. It stabilizes and moderately inhibits SIRT5, showing high selectivity over other SIRT subtypes.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Sami Chniti, Laszlo Kollar, Attila Benyei, Attila Takacs
Summary: This research investigates the aminocarbonylation reaction of 6-iodoquinoline, providing an efficient synthetic route for producing various quinoline-6-carboxamide and quinoline-6-glyoxylamide derivatives. The study shows that reaction conditions significantly influence the formation of amides and ketoamides, and by optimizing the conditions, selective synthesis of the desired products can be achieved.
Article
Chemistry, Medicinal
Dandan Zhang, Guiqing Xu, Jie Zhao, Yue Wang, Xiaofang Wu, Xing He, Wei Li, Shuting Zhang, Shouning Yang, Chunhua Ma, Yuqin Jiang, Qingjie Ding
Summary: BTK inhibitors are promising drugs for hematological tumors treatment with high selectivity and reduced side effects. Designed range of inhibitors showed potent activity in vitro and can be further developed.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Organic
Jehan Y. Al-Humaidi, A. A. Nayl, Mohamed M. Abdalla, Sobhi M. Gomha
Summary: This study synthesized and tested the in-vivo activity of different compounds, and found that triazolo-tetrazine derivatives have excellent anticonvulsant and CNS-depressant activities. Further structure-activity relationship studies demonstrated that electron-releasing groups increase activity while electron-withdrawing groups decrease activity.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Organic
Tariq Z. Abolibda, Maher Fathalla, Ghadah F. Aljohani, Ehab M. Zayed, Sobhi M. Gomha
Summary: In this study, a series of pyrimidine derivatives with broad-spectrum biological activity were synthesized, and their antiviral activity against SARS-CoV-2 main protease (Mpro) was investigated using molecular docking and molecular dynamics simulation. Among them, pyrazolinone 19 exhibited the strongest inhibitory activity with good affinity towards Mpro, making it a potential candidate for antiviral drug development.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Biochemistry & Molecular Biology
Tariq Z. Abolibda, Maher Fathalla, Basant Farag, Magdi E. A. Zaki, Sobhi M. Gomha
Summary: One crucial strategy for the treatment of breast cancer involves targeting the VEGFR-2 signaling system. In this study, new 3-thiazolhydrazinylcoumarins were synthesized and assessed for their inhibitory activity against VEGFR-2. The most active compounds exhibited comparable activities to the approved medicine Sorafenib and demonstrated greater anticancer activities than Sorafenib in breast cancer cell lines.
Article
Crystallography
Sobhi M. Gomha, Sayed M. Riyadh, Reem A. K. Alharbi, Magdi E. A. Zaki, Tariq Z. Abolibda, Basant Farag
Summary: A novel catalytic approach using cellulose sulfuric acid (CSA) as a green catalyst was developed for the synthesis of symmetric and asymmetric azines. The method showed high percentage yield, mild reaction conditions, broad substrate range, and environmentally benign characteristics, making it suitable for large-scale industrial manufacturing. Molecular docking analysis revealed the possible binding interactions between the azine derivatives and the target protein MAO-A, with some derivatives showing major conserved interactions, while others exhibited low binding activity.
Article
Chemistry, Medicinal
Anne-Sophie Castanet, Mohamed S. Nafie, Sara A. Said, Reem K. Arafa
Summary: This research focuses on the design and synthesis of a new PIM-1 kinase targeting compound, and investigates its potential as an anti-cancer agent through in vitro and in vivo studies. The results demonstrate that compound 10f exhibits strong cytotoxicity against prostate cancer cells, inhibits PIM-1 kinase activity, and has antioxidant and apoptosis-inducing effects. Moreover, 10f shows significant anti-tumor activity in a mouse model. Therefore, compound 10f holds promise as a lead compound for prostate cancer treatment.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Fayza O. Ashmawy, Sobhi M. Gomha, Magda A. Abdallah, Magdi E. A. Zaki, Sami A. Al-Hussain, Mohamed A. El-desouky
Summary: A new series of thiazolyl pyridines linked with thiophene moiety via hydrazone group were successfully synthesized by one-pot multi-component reaction. These compounds demonstrated excellent anticancer activities against lung cancer cells by inhibiting epidermal growth factor receptor (EGFR) tyrosine kinase, except for compounds 8c and 8f.
Article
Biochemistry & Molecular Biology
Mohamed S. Ibrahim, Basant Farag, Jehan Y. Al-Humaidi, Magdi E. A. Zaki, Maher Fathalla, Sobhi M. Gomha
Summary: The green synthesis of new benzaldazine and ketazine derivatives using the grinding method with acetic acid as a catalyst is reported in this study. The synthesized derivatives exhibited potential anti-tumor activities against different cancer cell lines. Molecular docking studies and drug-likeness analysis indicated that one of the derivatives had better pharmacokinetics and oral bioavailability compared to the reference medication.
Article
Chemistry, Organic
Mohamed G. Badrey, Sobhi M. Gomha, Aboubakr H. Abdelmonsef, Ahmed A. M. El-Reedy
Summary: A series of new three-armed heterocycles, such as thiazoles and thiazines linked to triazine moiety, were synthesized using cyanuaric chloride and thiothemicarbazide as starting materials to obtain the target compound 1. Thiazole derivatives were obtained through the reaction of tris-thiosemicarbazide with various hydrazonoyl halides. Additionally, a thiazole derivative could be prepared from the reaction of target compound 1 with DMAD. Thiazine derivatives were synthesized from compound 1 through interaction with benzylidinemalonitrile. In this study, molecular docking analysis and in silico ADMET predictions were conducted to investigate the molecular interactions and pharmacokinetic properties of the compounds. The new compounds show potential as chemical scaffolds for the development of anti-obesity drug candidates.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Medicinal
Salwa A. A. Elgebaly, Charles Van Buren, Robert Todd, Robert Poston, Reem K. Arafa, Nashwa El-Khazragy, Donald Kreutzer, Mostafa A. Rabie, Ahmed F. Mohamed, Lamiaa A. Ahmed, Nesrine S. El Sayed
Summary: Cyclocreatine phosphate (CCrP) can protect myocardial ATP and prevent heart failure caused by myocardial ischemic injury. Testing in an isoproterenol (ISO) rat model, CCrP was found to prevent ISO-induced myocardial injury, reduce heart weight, decrease cardiac biomarkers and inflammatory factors, maintain normal cardiac function and physical activity, and reduce cardiac remodeling.
Article
Polymer Science
Khaled D. Khalil, Sayed M. Riyadh, Ali H. Bashal, Tariq Z. Abolibda, Sobhi M. Gomha
Summary: A novel hybrid barium oxide-chitosan nanocomposite was synthesized and its structure and properties were analyzed and characterized. The nanocomposite showed promising catalytic performance and can be used for the synthesis of compounds with potential applications.
Article
Chemistry, Physical
Jehan Y. Al-Humaidi, Sobhi M. Gomha, Nahed A. Abd El-Ghany, Basant Farag, Magdi E. A. Zaki, Tariq Z. Abolibda, Nadia A. Mohamed
Summary: In this study, an ecofriendly biopolymeric catalyst was prepared and used for the synthesis of novel thiazole and thiadiazole derivatives. The catalyst showed mild reaction conditions, quick reaction durations, and high reaction yields. It also retained its potency after multiple reuses.
Article
Chemistry, Multidisciplinary
Jehan Y. Al-Humaidi, Sobhi M. Gomha, Sayed M. Riyadh, Mohamed S. Ibrahim, Magdi E. A. Zaki, Tariq Z. Abolibda, Ohoud A. Jefri, Amr S. Abouzied
Summary: A series of thiazolylhydrazonothiazoles with an indole moiety were synthesized, and the synthesized compounds showed significant anticancer activity against colon carcinoma cell line (HCT-116), liver carcinoma cell line (HepG2), and breast carcinoma cell line (MDA-MB-231), with minimal toxic effects on normal cells, indicating their potential safety for pharmacological studies. Docking studies comparing their binding scores and modes to a reference standard (W19) suggested that these compounds act as inhibitors of the epidermal growth factor receptor tyrosine kinase domain (EGFR TK) protein, endorsing their anticancer activity.
Article
Biochemistry & Molecular Biology
Adel Alghamdi, Amr S. S. Abouzied, Abdulwahab Alamri, Sirajudheen Anwar, Mukhtar Ansari, Ibrahim Khadra, Yasser H. H. Zaki, Sobhi M. M. Gomha
Summary: In this study, a novel series of N-aminothiazole-hydrazineethyl-pyridines were designed, synthesized, and characterized. Molecular docking and molecular dynamics simulation were applied to investigate their binding energy with the SARS-CoV-2 main protease. The results obtained from in vitro and in vivo research on these synthesized compounds are expected to make a significant contribution to the fight against COVID-19.
CURRENT ISSUES IN MOLECULAR BIOLOGY
(2023)
Article
Chemistry, Medicinal
Refaie M. Kassab, Sami A. Al-Hussain, Aboubakr H. Abdelmonsef, Magdi E. A. Zaki, Sobhi M. Gomha, Zeinab A. Muhammad
Summary: A new series of xylenyl-spaced bis-carbazones were successfully synthesized and used as building blocks to construct a variety of bis-thiazole/thiazine derivatives. These newly synthesized compounds exhibited remarkable antiviral activity, especially compound 6d. Molecular docking study further confirmed the antiviral mechanism of these compounds.
FUTURE MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Sobhi M. Gomha, Magdi E. A. Zaki, Deepika Maliwal, Raghuvir R. S. Pissurlenkar, Mohamed S. Ibrahim, Maher Fathalla, Ahmed M. Hussein
Summary: This study synthesized novel 3-thiazolyl-indole derivatives and evaluated their ability to inhibit CDK2 using molecular docking analyses. The compounds exhibited significant inhibitory activity against CDK2 and showed potential as anticancer drugs.
RESULTS IN CHEMISTRY
(2023)
