Rhodanine–Piperazine Hybrids as Potential VEGFR, EGFR, and HER2 Targeting Anti-Breast Cancer Agents DOI Open Access
Jacek Szczepański, Dmytro Khyluk, Agnieszka Korga-Plewko

и другие.

International Journal of Molecular Sciences, Год журнала: 2024, Номер 25(22), С. 12401 - 12401

Опубликована: Ноя. 19, 2024

Breast cancer is one of the most common malignancies affecting women worldwide, with a significant need for novel therapeutic agents to target specific molecular pathways involved in tumor progression. In this study, series rhodanine-piperazine hybrids were designed, synthesized, and evaluated their anticancer activity, targeting key tyrosine kinases such as VEGFR, EGFR, HER2. Biological screening against breast cell lines (MCF-7, MDA-MB-231, T47D, MDA-MB-468) revealed 3 13 tested compounds potent, 5-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one (

Язык: Английский

New quinazoline sulfonamide derivatives as potential anticancer agents: Identifying a promising hit with dual EGFR/VEGFR-2 inhibitory and radiosensitizing activity DOI
Mostafa M. Ghorab, Aiten M. Soliman, Khaled El‐Adl

и другие.

Bioorganic Chemistry, Год журнала: 2023, Номер 140, С. 106791 - 106791

Опубликована: Авг. 15, 2023

Язык: Английский

Процитировано

27

Dual VEGFR-2 and EGFR T790M inhibitors of phenyldiazenes: anticancer evaluations, ADMET, docking, design and synthesis DOI
Marwa Alsulaimany, Ahmed K. B. Aljohani, Nour E. A. Abd El‐Sattar

и другие.

Future Medicinal Chemistry, Год журнала: 2025, Номер 17(3), С. 287 - 300

Опубликована: Янв. 17, 2025

New phenyldiazene scaffold-linked heterocyclic pyrazole, pyrimidinone, pyrimidinthione, and/or triazine rings have been developed and synthesized. Cytotoxicity of our derivatives was estimated on four cancer VERO normal cell lines targeting EGFRT790M (epidermal growth factor receptor) VEGFR-2 (vascular endothelial receptor-2) enzymes. Our new selectively inhibited both EGFR as they the essential structural requirements for inhibitors receptors. Derivative 14 most active A549, HCT116, HepG2, MCF-7 cancers with half-maximal inhibitory concentration (IC50) = 5.50, 9.77, 7.12, 7.85 µM respectively. The assessed 5, 7, 8, 9, 10, 12 showed IC50 54.40-62.60 μM against (normal kidney) cells low toxicity. In addition, 14, 7 9 were discovered to be very good at values 1.15, 1.35, 140, 1.78 1.90 µM, Furthermore, strongly repressed 0.28, 0.33, 0.35, 0.50 correspondingly. Additionally, highly compounds ADMET profile. could considered anticancer agents dual inhibition.

Язык: Английский

Процитировано

2

Rational design, docking, syntheses, ADMET and cytotoxicity assessments of iodoquinazoline derivatives as inhibitors of EGFRT790M and VEGFR-2 DOI
Ahmed K. B. Aljohani, Marwa Alsulaimany,

Omar M. Alatawi

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141634 - 141634

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

1

Novel promising benzoxazole/benzothiazole‐derived immunomodulatory agents: Design, synthesis, anticancer evaluation, and in silico ADMET analysis DOI
Hazem Elkady, Khaled El‐Adl,

Helmy Sakr

и другие.

Archiv der Pharmazie, Год журнала: 2023, Номер 356(9)

Опубликована: Июнь 28, 2023

Eleven novel benzoxazole/benzothiazole-based thalidomide analogs were designed and synthesized to obtain new effective antitumor immunomodulatory agents. The compounds evaluated for their cytotoxic activities against HepG-2, HCT-116, PC3, MCF-7 cells. Generally, the open with semicarbazide thiosemicarbazide moieties (10, 13a-c, 14, 17a,b) exhibited higher than derivatives closed glutarimide moiety (8a-d). In particular, compound 13a (IC50 = 6.14, 5.79, 10.26, 4.71 µM MCF-7, respectively) 14 7.93, 8.23, 12.37, 5.43 µM, highest anticancer four tested cell lines. most active further in vitro on tumor necrosis factor-alpha (TNF-α), caspase-8 (CASP8), vascular endothelial growth factor (VEGF), nuclear kappa-B p65 (NF-κB p65) HCT-116 Compounds showed a remarkable significant reduction TNF-α. Furthermore, they elevation CASP8 levels. Also, significantly inhibited VEGF. addition, decreases level of NF-κB while demonstrated an insignificant decrease respect thalidomide. Moreover, our good silico absorption, distribution, metabolism, elimination, toxicity (ADMET) profiles.

Язык: Английский

Процитировано

20

Five and six membered heterocyclic rings endowed with azobenzene as dual EGFRT790M and VEGFR-2 inhibitors: design, synthesis, in silico ADMET profile, molecular docking, dynamic simulation and anticancer evaluations DOI Creative Commons

Kurls E. Anwer,

Sanadelaslam S. A. El‐Hddad,

Nour E. A. Abd El‐Sattar

и другие.

RSC Advances, Год журнала: 2023, Номер 13(50), С. 35321 - 35338

Опубликована: Янв. 1, 2023

Novel azobenzene scaffold-joined heterocyclic isoxazole, pyrazole, triazole, and/or triazine moieties have been developed and synthesized utilizing microwave traditional methods. Our compounds were tested for growth inhibition of A549, MCF-7, HCT-116, HepG2 tumors by dual targeting the VEGFR-2 EGFRT790M enzymes. The suggested compound's manner binding with active sites was explored through molecular design MD modeling. information from results biological screening docking studies highly correlated. A549 cell line one that responded to novel effects most effectively. Having IC50 values 5.15, 6.37, 8.44 6.23 μM, respectively, 14 effective derivative on four HCT116 cancer cells. It had greater activity than erlotinib slightly inferior activities lines sorafenib, respectively. cytotoxicity derivatives, 5, 6, 10 14, evaluated against typical VERO lines. ranging 42.32 55.20 showed investigated drugs modest toxicity normal Additionally all derivatives assessed their inhibitory effects. Among them, 5 established as greatest inhibitors at 0.95, 1.25 1.50 μM correspondingly. As well, could inhibit demonstrating strongest = 0.25, 0.35, 0.40 0.50 Furthermore, ADMET profile in contrast reference sorafenib erlotinib.

Язык: Английский

Процитировано

19

Pyrazolo[3,4-d]pyrimidine derivatives as EGFRT790M and VEGFR-2 dual TK inhibitors: Design, synthesis, molecular docking, ADMET profile and anticancer evaluations DOI

Dina Adel,

Khaled El‐Adl, Tamer Nasr

и другие.

Journal of Molecular Structure, Год журнала: 2023, Номер 1291, С. 136047 - 136047

Опубликована: Июнь 20, 2023

Язык: Английский

Процитировано

16

New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies DOI
Hazem Elkady,

Abdelrahman A. Abuelkhir,

Mahmoud Rashed

и другие.

Computational Biology and Chemistry, Год журнала: 2023, Номер 107, С. 107958 - 107958

Опубликована: Сен. 11, 2023

Язык: Английский

Процитировано

12

Anticancer evaluations of iodoquinazoline substituted with allyl and/or benzyl as dual inhibitors of EGFRWT and EGFRT790M: design, synthesis, ADMET and molecular docking DOI Creative Commons
Ahmed K. B. Aljohani, Khaled El‐Adl, Basmah Almohaywi

и другие.

RSC Advances, Год журнала: 2024, Номер 14(12), С. 7964 - 7980

Опубликована: Янв. 1, 2024

Fifteen new iodoquinazoline derivatives, 5a,b to 18, are reported in this study and their anticancer evaluation as dual inhibitors of EGFR WT T790M .

Язык: Английский

Процитировано

5

Immunomodulation and anticancer evaluation of quinazoline-based thalidomide analogs: Design, synthesis, docking, and dynamic simulation DOI
Abdallah E. Abdallah, Ibrahim H. Eissa,

Ahmed B. M. Mehany

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1317, С. 139082 - 139082

Опубликована: Дек. 1, 2024

Язык: Английский

Процитировано

5

Iodoquinazoline-derived VEGFR-2 and EGFRT790M dual inhibitors: Design, synthesis, molecular docking and anticancer evaluations DOI
Abeer A. Mohamed,

Sanadelaslam S. A. El‐Hddad,

Ahmed K. B. Aljohani

и другие.

Bioorganic Chemistry, Год журнала: 2023, Номер 143, С. 107062 - 107062

Опубликована: Дек. 25, 2023

Язык: Английский

Процитировано

10