作者
Shankar Thapa, Shachindra L Nargund, Mahalakshmi Suresha Biradar, Janmajay Banerjee, Dipanjan Karati
发表日期
2023/1/1
期刊
Informatics in Medicine Unlocked
卷号
38
页码范围
101213
出版商
Elsevier
简介
Background
The primary driving force behind the development of several small molecules for the treatment of tuberculosis is multi-drug resistance. A new fluorinated heterocyclic benzimidazole derivative gives extensive pharmacological activity against the FtsZ protein. FtsZ is a new validated target for tuberculosis drug design. It is a cell division filament protein present in Mycobacterium tuberculosis and other bacteria.
Methods
Ligand preparation- The ligand molecules were selected from the previously published paper and analyzed for reliability with the FtsZ protein. The 3D structure of the ligand was prepared using Chem-Draw Pro (version 12.0). Protein preparation- The PDB format FtsZ protein was downloaded from RCSB (https://www.rcsb.org/). The FtsZ protein of PDBID 2q1y was taken for the docking studies. The binding pocket was determined using the Castp server (http://sts.bioe.uic.edu/castp/index.html …
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