Application of 3D QSAR and Docking Studies in Optimization of Perylene di imides as Anti Cancer Agent

2018 ◽  
Vol 52 (4) ◽  
pp. 666-675
Author(s):  
Catna Nagaraj Hemalatha ◽  
Vijey Aanandhi Muthkumar
Keyword(s):  
3D Qsar ◽  
Docking Studies ◽  
Anti Cancer ◽  
Cancer Agent

scholarly journals Exploration of Active Site-Directed Plasmin Inhibitors: Beyond Tranexamic Acid

Processes ◽  
2021 ◽  
Vol 9 (2) ◽  
pp. 329
Author(s):  
Yuko Tsuda ◽  
Koushi Hidaka ◽  
Keiko Hojo ◽  
Yoshio Okada
Keyword(s):  
Tranexamic Acid ◽  
Active Site ◽  
Docking Studies ◽  
Potential Candidate ◽  
Activity Structure ◽  
Anti Cancer ◽  
Structure Relationship ◽  
Plasmin Inhibitors ◽  
Cancer Agent ◽  
Relationship Of

Plasmin (Plm), a trypsin-like serine protease, is responsible for fibrinolysis pathway and pathologic events, such as angiogenesis, tumor invasion, and metastasis, and alters the expression of cytokines. A growing body of data indicates that a Plm inhibitor is a potential candidate as an anti-inflammatory and anti-cancer agent. A class of active site-directed plasmin inhibitors containing tranexamic acid residue has been designed. As evidenced by docking studies, the inhibitor binds to the active site not to the lysine binding site (LBS) in plasmin, thus preventing plasmin from digesting the substrate. Further optimization of the series, concerning both activity and selectivity, led to the second generation of inhibitors. This review focuses on the Plm inhibitory activity-structure relationship of Plm inhibitors with the goal of realizing their design and clinical application.

Benzoxazinoids in human diet: an anti-cancer agent?

2019 ◽  
Author(s):  
B Bhattarai ◽  
SK Steffensen ◽  
PL Gregersen ◽  
JH Jensen ◽  
KD Sørensen ◽  
...  
Keyword(s):  
Human Diet ◽  
Anti Cancer ◽  
Cancer Agent

3D QSAR and Docking Studies of Various Amido and Benzyl-substituted 3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl Analogs as DPP-IV Inhibitors

2013 ◽  
Vol 20 (9) ◽  
pp. 1066-1078 ◽  
Author(s):  
Ritesh Agrawal ◽  
Pratima Jain ◽  
Subodh Dikshit ◽  
Sourabh Jain
Keyword(s):  
3D Qsar ◽  
Docking Studies ◽  
Dpp Iv

Pharmacophore Based 3D-QSAR, Virtual Screening and Docking Studies on Novel Series of HDAC Inhibitors with Thiophen Linker as Anticancer Agents

2016 ◽  
Vol 19 (9) ◽  
pp. 735-751 ◽  
Author(s):  
Preeti Patel ◽  
Avineesh Singh ◽  
Vijay Patel ◽  
Deepak Jain ◽  
Ravichandran Veerasamy ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Anticancer Agents ◽  
Hdac Inhibitors ◽  
3D Qsar ◽  
Docking Studies

Validation of TZD Scaffold as Potential ARIs: Pharmacophore Modeling, Atom-based 3D QSAR and Docking Studies

2017 ◽  
Vol 20 (4) ◽  
Author(s):  
Lalita Dahiya ◽  
Manoj Kumar Mahapatra ◽  
Ramandeep Kaur ◽  
Vipin Kumar ◽  
Manoj Kumar
Keyword(s):  
3D Qsar ◽  
Pharmacophore Modeling ◽  
Docking Studies
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