Biological activities of marine sesquiterpenoid quinones: structure–activity relationships in cytotoxic and hemolytic assays

2004 ◽  
Vol 139 (2) ◽  
pp. 169-173 ◽  
Author(s):  
Nina G. Prokof'eva ◽  
Natalia K. Utkina ◽  
Elena L. Chaikina ◽  
Aleksandra E. Makarchenko
Keyword(s):  
Biological Activities ◽  
Structure Activity Relationships ◽  
Structure Activity

Isothiocyanate Synthetic Analogs: Biological Activities, Structure-Activity Relationships and Synthetic Strategies

2014 ◽  
Vol 14 (12) ◽  
pp. 963-977 ◽  
Author(s):  
Andrea Milelli ◽  
Carmela Fimognari ◽  
Nicole Ticchi ◽  
Paolo Neviani ◽  
Anna Minarini ◽  
...  
Keyword(s):  
Biological Activities ◽  
Synthetic Analogs ◽  
Structure Activity Relationships ◽  
Structure Activity

Design, synthesis and biological activities of pyrrole-3-carboxamide derivatives as EZH2 (enhancer of zeste homologue 2) inhibitors and anticancer agents

2020 ◽  
Vol 44 (6) ◽  
pp. 2247-2255
Author(s):  
Qifan Zhou ◽  
Lina Jia ◽  
Fangyu Du ◽  
Xiaoyu Dong ◽  
Wanyu Sun ◽  
...  
Keyword(s):  
Biological Activity ◽  
Anticancer Agents ◽  
Biological Activities ◽  
Activity Assay ◽  
Design Synthesis ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Enhancer Of Zeste

A novel series of pyrrole-3-carboxamides targeting EZH2 have been designed and synthesized. The structure–activity relationships were summarized by combining with in vitro biological activity assay and docking results.

scholarly journals A Comprehensive QSAR Study on Antileishmanial and Antitrypanosomal Cinnamate Ester Analogues

Molecules ◽  
2019 ◽  
Vol 24 (23) ◽  
pp. 4358 ◽  
Author(s):  
Freddy A. Bernal ◽  
Thomas J. Schmidt
Keyword(s):  
Biological Activities ◽  
Strong Dependence ◽  
Health Improvement ◽  
Underlying Structure ◽  
Parasitic Infections ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Antitrypanosomal Activity ◽  
Validation Parameters ◽  
Test Sets

Parasitic infections like leishmaniasis and trypanosomiasis remain as a worldwide concern to public health. Improvement of the currently available drug discovery pipelines for those diseases is therefore mandatory. We have recently reported on the antileishmanial and antitrypanosomal activity of a set of cinnamate esters where we identified several compounds with interesting activity against L. donovani and T. brucei rhodesiense. For a better understanding of such compounds’ anti-infective activity, analyses of the underlying structure-activity relationships, especially from a quantitative point of view, would be a prerequisite for rational further development of such compounds. Thus, quantitative structure-activity relationships (QSAR) modeling for the mentioned set of compounds and their antileishmanial and antitrypanosomal activity was performed using a genetic algorithm as main variable selection tool and multiple linear regression as statistical analysis. Changes in the composition of the training/test sets were evaluated (two randomly selected and one by Kennard-Stone algorithm). The effect of the size of the models (number of descriptors) was also investigated. The quality of all resulting models was assessed by a variety of validation parameters. The models were ranked by newly introduced scoring functions accounting for the fulfillment of each of the validation criteria evaluated. The test sets were effectively within the applicability domain of the best models, which demonstrated high robustness. Detailed analysis of the molecular descriptors involved in those models revealed strong dependence of activity on the number and type of polar atoms, which affect the hydrophobic/hydrophilic properties causing a prominent influence on the investigated biological activities.

scholarly journals Study on structure–activity relationships (SARs) of epoxylignan compounds with α- glucosidase inhibitory activity

2018 ◽  
Vol 1 (T5) ◽  
pp. 110-115
Author(s):  
Tho Huu Le ◽  
Hai Xuan Nguyen ◽  
Mai Thi Thanh Nguyen
Keyword(s):  
Inhibitory Activity ◽  
Biological Activities ◽  
Stem Bark ◽  
Positive Control ◽  
Polyphenolic Compounds ◽  
Hydroxyl Group ◽  
Epoxy Ring ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Potent Inhibitory Activity

Epoxylignans are polyphenolic compounds, which possess various biological activities such as antiproliferative activity on cancer cells, antioxidant, antihyperglycemic,… In this research, we study on α- glucosidase inhibitory activity of 11 epoxylignans isolated from the stem of Artocarpus heterophyllus, the stem of Willughbeia cochinchinensis, the stem bark of Crateva religiosa, and the propolis of Trigona minor. The results showed that, compounds 1–4 and 7–10 were more potent inhibitory activity than that of positive control acarbose (IC50, 214.5 µM). Based on the results, their structure-activity relationships showed that the presence of the hydroxyl group at C-4, and C-4ʹ positions play an important role in increasing the activity. Furthermore, diepoxylignans having a ketone group at C-9′ exhibited stronger activity. In contrast, the opening of an epoxy ring at C-7 the C-9′ positions reduced the activity.

Bis-coumarin Derivatives and Their Biological Activities

2018 ◽  
Vol 18 (2) ◽  
pp. 101-113 ◽  
Author(s):  
Qing-Cheng Ren ◽  
Chuan Gao ◽  
Zhi Xu ◽  
Lian-Shun Feng ◽  
Ming-Liang Liu ◽  
...  
Keyword(s):  
Clinical Practice ◽  
Active Sites ◽  
Noncovalent Interactions ◽  
Biological Activities ◽  
Coumarin Derivatives ◽  
Antitumor Activities ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Biological Potential

Bis-coumarins have caused great interests in the recent years. These compounds exhibit diverse biological activities which are ascribed to their ability to exert noncovalent interactions with the various active sites in organisms. Some of them such as dicoumarolum and dicoumarol were approved for therapeutic purposes in clinical practice. Encouraged by the above facts, numerous biscoumarin derivatives have been synthesized and screened for their biological activities, and many of them showed promising potency. This review is focused on the biological potential of bis-coumarin derivatives with particular mention of those exhibiting antibacterial, anticoagulant, antiinflammatory, antiviral, anti-parasite and antitumor activities, and their structure-activity relationships are also discussed.

Structure—activity relationships in human interleukin-1α: identification of key residues for expression of biological activities

1992 ◽  
Vol 5 (2) ◽  
pp. 171-176 ◽  
Author(s):  
Hitoshi Kawashima ◽  
Jun-ichi Yamagishi ◽  
Michiko Yamayoshi ◽  
Mayumi Ohue ◽  
Toshikazu Fukui ◽  
...  
Keyword(s):  
Biological Activities ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Interleukin 1Α ◽  
Key Residues
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