Structural and functional insight into thiazolidinone derivatives as novel candidates for anticancer drug design: in vitro biological and in-silico strategies

2021 ◽  
pp. 1-12
Author(s):  
Pervaiz Ali Channar ◽  
Mubashir Aziz ◽  
Syeda Abida Ejaz ◽  
Gul-e-Saba Chaudhry ◽  
Amna Saeed ◽  
...  
Keyword(s):  
Drug Design ◽  
Anticancer Drug ◽  
In Silico ◽  
Insight Into

Computer-Aided Anticancer Drug Design: In vitro and In silico Studies of New Iminocoumarin Derivative

2021 ◽  
pp. 130539
Author(s):  
Serda Kecel-Gunduz ◽  
Yasemin Budama-Kilinc ◽  
Bahar GOK ◽  
Bilge Bicak ◽  
Gizem Akman ◽  
...  
Keyword(s):  
Drug Design ◽  
Anticancer Drug ◽  
In Silico ◽  
In Silico Studies ◽  
Computer Aided

scholarly journals in silico Design, ADME Prediction, Molecular Docking, Synthesis of Novel Triazoles, Indazoles & Aminopyridines and in vitro Evaluation of Antitubercular Activity

2020 ◽  
Vol 32 (11) ◽  
pp. 2713-2721
Author(s):  
S. Triveni ◽  
C. Naresh Babu ◽  
E. Bhargav ◽  
M. Vijaya Jyothi
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Docking ◽  
Drug Design ◽  
In Silico ◽  
Antitubercular Activity ◽  
Docking Studies ◽  
Luciferase Reporter ◽  
Assay Method ◽  
Adme Prediction

To design and synthesize novel triazoles, indazoles and aminopyridines from various (thiophene-2-yl)prop-2-en-1-one derivatives as antitubercular leads by in silico and in vitro methods. in silco Drug design, ADME prediction and molecular docking studies were performed to assess drug likeliness and antitubercular potential of all 30 novel triazoles, indazoles and aminopyridines. in silico Drug design studies revealed that the synthetic routes applied were appropriate according to the calculations of Swiss-ADME that measure synthetic accessibility. Most of the synthesized compounds found to have considerable binding score with enoyl ACP reductase enzyme of Mycobacterium tuberculosis. All the synthesized compounds were evaluated for antitubercular potential against Drug Resistant Mycobacterium tuberculosis H37Rv strain by Luciferase reporter assay method. Most of the synthesized compounds exhibited remarkable antitubercular potential against resistant strain.

Biophysical insight into the binding mechanism of doxofylline to bovine serum albumin: An in vitro and in silico approach

2021 ◽  
Vol 249 ◽  
pp. 119296
Author(s):  
Sharmin Siddiqui ◽  
Faisal Ameen ◽  
Tasneem Kausar ◽  
Shahid M. Nayeem ◽  
Sayeed Ur Rehman ◽  
...  
Keyword(s):  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
In Silico ◽  
Bovine Serum ◽  
Binding Mechanism ◽  
Insight Into
Sign in / Sign up

Export Citation Format

Share Document