Pyrazolo[3,4-d]pyrimidine-based dual EGFR T790M/HER2 inhibitors: Design, synthesis, structure–activity relationship and biological activity as potential antitumor and anticonvulsant agents

2021 ◽  
Vol 214 ◽  
pp. 113222
Author(s):  
Phoebe F. Lamie ◽  
Asmaa M. El-Kalaawy ◽  
Noha S. Abdel Latif ◽  
Laila A. Rashed ◽  
John N. Philoppes
Keyword(s):  
Biological Activity ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Design Synthesis ◽  
Anticonvulsant Agents ◽  
Structure Activity ◽  
Egfr T790m ◽  
Potential Antitumor

Design, synthesis and structure–activity relationship study of novel pyrazole-based heterocycles as potential antitumor agents

2010 ◽  
Vol 45 (12) ◽  
pp. 5887-5898 ◽  
Author(s):  
Ahmad M. Farag ◽  
Korany A.K. Ali ◽  
Taha M.A. El-Debss ◽  
Abdelrahman S. Mayhoub ◽  
Abdel-Galil E. Amr ◽  
...  
Keyword(s):  
Antitumor Agents ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Design Synthesis ◽  
Structure Activity ◽  
Relationship Study ◽  
Potential Antitumor

ChemInform Abstract: Design, Synthesis and Structure-Activity Relationship Study of Novel Pyrazole-Based Heterocycles as Potential Antitumor Agents.

ChemInform ◽  
2011 ◽  
Vol 42 (14) ◽  
pp. no-no
Author(s):  
Ahmad M. Farag ◽  
Korany A. K. Ali ◽  
Taha M. A. El-Debss ◽  
Abdelrahman S. Mayhoub ◽  
Abdel-Galil E. Amr ◽  
...  
Keyword(s):  
Antitumor Agents ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Design Synthesis ◽  
Structure Activity ◽  
Relationship Study ◽  
Potential Antitumor

Design, synthesis, biological activity and structure-activity relationship studies of chalcone derivatives as potential anti-Candida agents

2018 ◽  
Vol 71 (8) ◽  
pp. 702-712 ◽  
Author(s):  
Jéssica T. Andrade ◽  
Felipe R. S. Santos ◽  
William G. Lima ◽  
Carla D. F. Sousa ◽  
Lohanna S. F. M. Oliveira ◽  
...  
Keyword(s):  
Biological Activity ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Design Synthesis ◽  
Chalcone Derivatives ◽  
Structure Activity

scholarly journals Discovery of Polyoxypregnane Derivatives From Aspidopterys obcordata With Their Potential Antitumor Activity

2022 ◽  
Vol 9 ◽  
Author(s):  
Hong-Wei Guo ◽  
Yun-Gang Tian ◽  
Yi-Han Liu ◽  
Jia Huang ◽  
Jian-Xia Wang ◽  
...  
Keyword(s):  
Biological Activity ◽  
Double Bond ◽  
Antitumor Activity ◽  
Medicinal Plant ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Sugar Chain ◽  
Phytochemical Study ◽  
Structure Activity ◽  
Potential Antitumor

The bioassay-guided phytochemical study of an ethnic medicinal plant Aspidopterys obcorda ta Hemsl. var. obcordata results in the isolation of eight new polyoxypregnane derivatives, named aspidatasides A–H (1–8), along with ten known analogs (9–18). The series polyoxypregnane derivatives were screened for their cytoxic activity against HL-60 cells, and compound 2 showed the highest potency with an IC50 8.03 μM. Preliminary structure–activity relationship studies displayed that the sugar chain and double bond could notably impact their biological activity.

Biological Activity of Trans-Membrane Anion Carriers

2018 ◽  
Vol 25 (30) ◽  
pp. 3560-3576 ◽  
Author(s):  
Massimo Tosolini ◽  
Paolo Pengo ◽  
Paolo Tecilla
Keyword(s):  
Biological Activity ◽  
Membrane Transport ◽  
Anticancer Agents ◽  
Biological Effects ◽  
Structure Activity Relationship ◽  
New Drugs ◽  
Activity Relationship ◽  
Anion Channels ◽  
Cellular Homeostasis ◽  
Structure Activity

Natural and synthetic anionophores promote the trans-membrane transport of anions such as chloride and bicarbonate. This process may alter cellular homeostasis with possible effects on internal ions concentration and pH levels triggering several and diverse biological effects. In this article, an overview of the recent results on the study of aniontransporters, mainly acting with a carrier-type mechanism, is given with emphasis on the structure/activity relationship and on their biological activity as antibiotic and anticancer agents and in the development of new drugs for treating conditions derived from dysregulation of natural anion channels.

Design, Synthesis and Structure-Activity Relationship Studies of Novel 4 (1-adamantyl) Phenyl Analogues as HIF-1α Inhibitors

2016 ◽  
Vol 12 (4) ◽  
pp. 338-346 ◽  
Author(s):  
Yan Xia ◽  
Qiong Duan ◽  
Bao-Hua Zhao ◽  
Dong-Feng Li ◽  
Rui-Bin Hou
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Design Synthesis ◽  
Structure Activity

scholarly journals The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity

2021 ◽  
Vol 14 (8) ◽  
pp. 720
Author(s):  
Valeria Catalani ◽  
Michelle Botha ◽  
John Martin Corkery ◽  
Amira Guirguis ◽  
Alessandro Vento ◽  
...  
Keyword(s):  
Biological Activity ◽  
Computational Models ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Docking Studies ◽  
Health Concern ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
High Biological Activity ◽  
Structure Activity

Designer benzodiazepines (DBZDs) represent a serious health concern and are increasingly reported in polydrug consumption-related fatalities. When new DBZDs are identified, very limited information is available on their pharmacodynamics. Here, computational models (i.e., quantitative structure-activity relationship/QSAR and Molecular Docking) were used to analyse DBZDs identified online by an automated web crawler (NPSfinder®) and to predict their possible activity/affinity on the gamma-aminobutyric acid A receptors (GABA-ARs). The computational software MOE was used to calculate 2D QSAR models, perform docking studies on crystallised GABA-A receptors (6HUO, 6HUP) and generate pharmacophore queries from the docking conformational results. 101 DBZDs were identified online by NPSfinder®. The validated QSAR model predicted high biological activity values for 41% of these DBDZs. These predictions were supported by the docking studies (good binding affinity) and the pharmacophore modelling confirmed the importance of the presence and location of hydrophobic and polar functions identified by QSAR. This study confirms once again the importance of web-based analysis in the assessment of drug scenarios (DBZDs), and how computational models could be used to acquire fast and reliable information on biological activity for index novel DBZDs, as preliminary data for further investigations.

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