Degradation Pathway Proposal, Structure Elucidation, and In Silico Toxicity Prediction of Dapagliflozin Propane Diol Hydrolytic Degradation Products

2020 ◽  
Vol 83 (10) ◽  
pp. 1233-1245 ◽  
Author(s):  
Prashant S. Devrukhakar ◽  
M. Shiva Shankar
Keyword(s):  
In Silico ◽  
Structure Elucidation ◽  
Degradation Products ◽  
Hydrolytic Degradation ◽  
Degradation Pathway ◽  
Toxicity Prediction ◽  
In Silico Toxicity

Identification of Degradation Products and Process Impurities from Terbutaline Sulfate by UHPLC-Q-TOF-MS/MS and In Silico Toxicity Prediction

2017 ◽  
Vol 80 (5) ◽  
pp. 793-804 ◽  
Author(s):  
Na Zhou ◽  
Qi Qian ◽  
Pengcheng Qi ◽  
Jie Zhao ◽  
Chunying Wang ◽  
...  
Keyword(s):  
In Silico ◽  
Degradation Products ◽  
Toxicity Prediction ◽  
Terbutaline Sulfate ◽  
In Silico Toxicity ◽  
Tof Ms

LC/QTOF/MS/MS characterization, molecular docking and in silico toxicity prediction studies on degradation products of anagliptin

2018 ◽  
Vol 159 ◽  
pp. 92-99 ◽  
Author(s):  
Shandilya Mahamuni Baira ◽  
Dilep Kumar Sigalapalli ◽  
Nagendra Babu Bathini ◽  
Srinivas R. ◽  
M.V.N Kumar Talluri
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Degradation Products ◽  
Toxicity Prediction ◽  
In Silico Toxicity

Structure Characterization of Degradation Products of Drug Candidate HM30571 by UPLC‐QTOF‐MS and In Silico Toxicity Prediction

2019 ◽  
Vol 41 (1) ◽  
pp. 92-95
Author(s):  
Hyojeong Bang ◽  
Wankyunn Whang ◽  
Keukchan Bang ◽  
Eunyoung Lee ◽  
Eunyoung Kim ◽  
...  
Keyword(s):  
In Silico ◽  
Degradation Products ◽  
Structure Characterization ◽  
Drug Candidate ◽  
Toxicity Prediction ◽  
In Silico Toxicity

Identification, isolation, structural characterisation, synthesis and in silico toxicity prediction of the alkaline hydrolytic degradation product of brivaracetam by using LC-PDA, preparative HPLC, LC/HESI/LTQ, FTIR, and 1H NMR

2020 ◽  
Vol 12 (14) ◽  
pp. 1868-1881
Author(s):  
Pankaj Bhamare ◽  
P. Umadoss ◽  
Neeraj Upmanyu ◽  
Rupal Dubey
Keyword(s):  
1H Nmr ◽  
Degradation Product ◽  
In Silico ◽  
Hydrolytic Degradation ◽  
Preparative Hplc ◽  
Limited Data ◽  
Toxicity Prediction ◽  
Degradation Behaviour ◽  
Structural Characterisation ◽  
In Silico Toxicity

Brivaracetam is a racetam derivative of levetiracetam with very limited data available on its degradation behaviour.

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