Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor

M Chalkha, AA el Hassani, A Nakkabi, B Tüzün… - Journal of Molecular …, 2023 - Elsevier
In the present work we report the experimental and computational investigations of (2-
aminophenyl)[4-(4-chlorophenyl)-1, 3-diphenyl-1H-pyrazol-5-yl] methanone (C 28 H 20 ClN …

Design, synthesis and molecular docking of new fused 1H-pyrroles, pyrrolo[3,2-d]pyrimidines and pyrrolo[3,2-e][1, 4]diazepine derivatives as potent EGFR/CDK2 …

A Belal, NM Abdel Gawad, ABM Mehany… - Journal of enzyme …, 2022 - Taylor & Francis
A new series of 1 H-pyrrole (6a–c, 8a–c), pyrrolo [3, 2-d] pyrimidines (9a–c) and pyrrolo [3, 2-
e][1, 4] diazepines (11a–c) were designed and synthesised. These compounds were …

Synthesis and Biological Evaluation of Benzo [d] thiazolyl‐Sulfonyl‐Benzo [4, 5] isothiazolo [2, 3‐c][1, 2, 3] triazole Derivatives as EGFR Targeting Anticancer Agents

E Ramya Sucharitha, S Kumar Nukala… - …, 2023 - Wiley Online Library
A one‐step procedure for the synthesis of new fused Benzo [d] thiazolo‐1, 2, 3‐triazoles (3 a–
3 h and 4 a–4 h) in good yields using sulfonylazides (2) and iodoalkyne (1) through from the …

Novel benzothiazole-based dual VEGFR-2/EGFR inhibitors targeting breast and liver cancers: Synthesis, cytotoxic activity, QSAR and molecular docking studies

EA Abd El-Meguid, AM Naglah, GO Moustafa… - Bioorganic & Medicinal …, 2022 - Elsevier
A novel series of benzothiazole-based derivatives linked to various amino acids and their
corresponding ethyl ester analogues were prepared and were initially evaluated for their …

New thiazole-based derivatives as EGFR/HER2 and DHFR inhibitors: Synthesis, molecular modeling simulations and anticancer activity

MA Sabry, MA Ghaly, AR Maarouf… - European Journal of …, 2022 - Elsevier
New series of thiazole and imidazo [2, 1-b] thiazole derivatives were synthesized and tested
for their in vitro anticancer activity. Compounds 27, 34, 39 and 42–44 showed the best …

Synthesis of triazole-substituted quinazoline hybrids for anticancer activity and a lead compound as the EGFR blocker and ROS inducer agent

B Banerji, K Chandrasekhar, K Sreenath, S Roy… - ACS …, 2018 - ACS Publications
A series of triazole-substituted quinazoline hybrid compounds were designed and
synthesized for anticancer activity targeting epidermal growth factor receptor (EGFR) …

Synthesis, cytotoxicity of some pyrazoles and pyrazolo [1, 5-a] pyrimidines bearing benzothiazole moiety and investigation of their mechanism of action

EM Husseiny - Bioorganic Chemistry, 2020 - Elsevier
A novel series of pyrazoles and pyrazolo [1, 5-a] pyrimidines bearing benzothiazole moiety
were designed and synthesized. Chemical structures were confirmed by spectral data and …

Polysubstituted pyrrolidines linked to 1, 2, 3-triazoles: Synthesis, crystal structure, DFT studies, acid dissociation constant, drug-likeness, and anti-proliferative activity

T Ince, R Serttas, B Demir, H Atabey… - Journal of Molecular …, 2020 - Elsevier
Abstract Novel pyrrolidines linked to 1, 2, 3-triazole derivatives, dimethyl 1-(2-(4-R-1 H-1, 2,
3-triazol-1-yl) acetyl)-5, 5-diphenylpyrrolidine-2, 4-dicarboxylate, were synthesized in the …

Synthesis and biological evaluation of novel 2, 4′-bis substituted diphenylamines as anticancer agents and potential epidermal growth factor receptor tyrosine kinase …

SM Abou-Seri - European journal of medicinal chemistry, 2010 - Elsevier
Four new series of 2, 4′-bis diphenylamine hydrazones 14, 2, 4′-bis aminothiadiazole 16,
2, 4′-bis mercaptotriazole 17–18 and 2, 4′-bis mercapto-oxadiazole diphenylamine …

Discovery of new 1H-pyrazolo[3,4-d]pyrimidine derivatives as anticancer agents targeting EGFRWT and EGFRT790M

AA Gaber, M Sobhy, A Turky… - Journal of Enzyme …, 2022 - Taylor & Francis
Abstract New 1 H-pyrazolo [3, 4-d] pyrimidine derivatives were designed and synthesised to
act as epidermal growth factor receptor inhibitors (EGFRIs). The synthesised derivatives …