Nonclassical antifolates, part 4. 5-(2-Aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: Synthesis, biological evaluation and molecular modeling study

2013 ◽  
Vol 66 ◽  
pp. 135-145 ◽  
Author(s):  
Ghada S. Hassan ◽  
Shahenda M. El-Messery ◽  
Fatmah A.M. Al-Omary ◽  
Sarah T. Al-Rashood ◽  
Marwa I. Shabayek ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
New Class ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Modeling Study

Thiazolo[4,5- d ]pyridazine analogues as a new class of dihydrofolate reductase (DHFR) inhibitors: Synthesis, biological evaluation and molecular modeling study

2017 ◽  
Vol 74 ◽  
pp. 228-237 ◽  
Author(s):  
Menna A. Ewida ◽  
Dalal A. Abou El Ella ◽  
Deena S. Lasheen ◽  
Heba A. Ewida ◽  
Yomna I. El-Gazzar ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Dihydrofolate Reductase ◽  
Biological Evaluation ◽  
New Class ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Modeling Study

Synthesis, biological evaluation and molecular modeling study of 2-(1,3,4-thiadiazolyl-thio and 4-methyl-thiazolyl-thio)-quinazolin-4-ones as a new class of DHFR inhibitors

2014 ◽  
Vol 24 (18) ◽  
pp. 4557-4567 ◽  
Author(s):  
Sarah T. Al-Rashood ◽  
Ghada S. Hassan ◽  
Shahenda M. El-Messery ◽  
Mahmoud N. Nagi ◽  
El-Sayed E. Habib ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
New Class ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Modeling Study

Thiadiazolodiazepine analogues as a new class of neuromuscular blocking agents: Synthesis, biological evaluation and molecular modeling study

2017 ◽  
Vol 126 ◽  
pp. 15-23 ◽  
Author(s):  
Hussein I. El-Subbagh ◽  
Adel S. El-Azab ◽  
Ghada S. Hassan ◽  
Shahenda M. El-Messery ◽  
Alaa A.-M. Abdel-Aziz ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
Neuromuscular Blocking ◽  
Neuromuscular Blocking Agents ◽  
New Class ◽  
Blocking Agents ◽  
Molecular Modeling Study ◽  
Modeling Study

Synthesis, biological evaluation and molecular modeling study of [1,2,4]-Triazolo[4,3-c]quinazolines: New class of EGFR-TK inhibitors

2020 ◽  
Vol 28 (7) ◽  
pp. 115373
Author(s):  
Wafaa A. Ewes ◽  
Mohammad A. Elmorsy ◽  
Shahenda M. El-Messery ◽  
Magda N.A. Nasr
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
New Class ◽  
Molecular Modeling Study ◽  
Tk Inhibitors ◽  
Modeling Study

Imidazo[2′,1′:2,3]thiazolo[4,5-d]pyridazinone as a new scaffold of DHFR inhibitors: Synthesis, biological evaluation and molecular modeling study

2018 ◽  
Vol 80 ◽  
pp. 11-23 ◽  
Author(s):  
Menna A. Ewida ◽  
Dalal A. Abou El Ella ◽  
Deena S. Lasheen ◽  
Heba A. Ewida ◽  
Yomna I. El-Gazzar ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Modeling Study

Synthesis, biological evaluation and molecular modeling study of new (1,2,4-triazole or 1,3,4-thiadiazole)-methylthio-derivatives of quinazolin-4(3 H )-one as DHFR inhibitors

2017 ◽  
Vol 72 ◽  
pp. 282-292 ◽  
Author(s):  
Yomna I. El-Gazzar ◽  
Hanan H. Georgey ◽  
Shahenda M. El-Messery ◽  
Heba A. Ewida ◽  
Ghada S. Hassan ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Derivatives Of ◽  
Modeling Study

Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: Synthesis, antitumor testing and molecular modeling study

2014 ◽  
Vol 74 ◽  
pp. 234-245 ◽  
Author(s):  
Hussein I. El-Subbagh ◽  
Ghada S. Hassan ◽  
Shahenda M. El-Messery ◽  
Sarah T. Al-Rashood ◽  
Fatmah A.M. Al-Omary ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
New Class ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Modeling Study

Antibacterial, antibiofilm and molecular modeling study of some antitumor thiazole based chalcones as a new class of DHFR inhibitors

2019 ◽  
Vol 136 ◽  
pp. 103674 ◽  
Author(s):  
Waad D. Alrohily ◽  
Mahmoud E. Habib ◽  
Shahenda M. El-Messery ◽  
Abdulmalik Alqurshi ◽  
Hussein El-Subbagh ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
New Class ◽  
Molecular Modeling Study ◽  
Dhfr Inhibitors ◽  
Modeling Study

Synthesis, biological evaluation and molecular modeling study of thiadiazolo[3,2- a ][1,3]diazepine analogues of HIE-124 as a new class of short acting hypnotics

2016 ◽  
Vol 124 ◽  
pp. 237-247 ◽  
Author(s):  
Hussein I. El-Subbagh ◽  
Ghada S. Hassan ◽  
Kamal E.H. El-Taher ◽  
Shahenda M. El-Messery ◽  
Adel S. Al-Azab ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Biological Evaluation ◽  
Short Acting ◽  
New Class ◽  
Molecular Modeling Study ◽  
Modeling Study

scholarly journals Molecular modeling study, synthesis and biological evaluation of combretastatin A-4 analogues as anticancer agents and tubulin inhibitors

MedChemComm ◽  
2018 ◽  
Vol 9 (2) ◽  
pp. 316-327 ◽  
Author(s):  
Yang Ping Quan ◽  
Li Ping Cheng ◽  
Tian Chi Wang ◽  
Wan Pang ◽  
Fan Hong Wu ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Anticancer Agents ◽  
Hepg2 Cells ◽  
Binding Mode ◽  
Biological Evaluation ◽  
Tubulin Inhibitors ◽  
Molecular Modeling Study ◽  
Synthesis And Biological Evaluation ◽  
Modeling Study

Compound 13a, more effective than CA-4 against HepG2 cells and tubulin, and the proposed binding mode for 13a.

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