scholarly journals [Cu(dipicolinoylamide)(NO3)(H2O)] as anti-COVID-19 and antibacterial drug candidate: Design, Synthesis, Crystal Structure, DFT and Molecular Docking

2021 ◽  
pp. 131348
Author(s):  
Laila H. Abdel-Rahman ◽  
Maram T. Basha ◽  
Badriah Saad Al-Farhan ◽  
Mohamed R. Shehata ◽  
Shaaban K. Mohamed ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Drug Candidate ◽  
Antibacterial Drug ◽  
Design Synthesis

[Cu(Dipicolinoylamide)(NO 3)(H 2O)] as Anti-COVID-19 and Antibacterial Drug Candidate: Design, Synthesis, Crystal Structure, DFT and Molecular Docking

2021 ◽  
Author(s):  
Laila H. Abdel-Rahman ◽  
Maram T. Basha ◽  
Badriah Saad Al-Farhan ◽  
Mohamed R. Shehata ◽  
Shaaban K. Mohamed ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Drug Candidate ◽  
Antibacterial Drug ◽  
Design Synthesis

Structure-based rational design, synthesis, crystal structure, DFT and molecular docking of 1,4-benzene dicarboxamide isomers with application as hardeners

2019 ◽  
Vol 43 (21) ◽  
pp. 7972-7983
Author(s):  
Meenu Teotia ◽  
Nazia Tarannum ◽  
Mohit Chauhan ◽  
Rakesh Kumar Soni
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Dft Calculations ◽  
Epoxy Resins ◽  
Rational Design ◽  
Antimicrobial Properties ◽  
Molecular Structures ◽  
Design Synthesis ◽  
Curing Agents

Molecular structures of two isomers have been investigated by SXRD analysis and DFT calculations and the isomers are assessed for their antimicrobial properties and as curing agents for epoxy resins.

Design, Synthesis, Molecular Docking and Crystal Structure Prediction of New Azasugar Analogues of α-Glucosidase Inhibitors

2011 ◽  
Vol 2011 (36) ◽  
pp. 7278-7287 ◽  
Author(s):  
Venerando Pistarà ◽  
Antonio Rescifina ◽  
Francesco Punzo ◽  
Graziella Greco ◽  
Vincenzina Barbera ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Structure Prediction ◽  
Crystal Structure Prediction ◽  
Design Synthesis ◽  
Glucosidase Inhibitors

Design, synthesis, crystal structure, bioactivity, and molecular docking studies of novel sulfonylamidine-derived neonicotinoid analogs

2014 ◽  
Vol 23 (12) ◽  
pp. 5043-5057 ◽  
Author(s):  
Liu Yang ◽  
Yong-Long Zhao ◽  
Chun-Yan Zhao ◽  
Huan-Huan Li ◽  
Mei-Juan Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Docking ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies
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