scholarly journals Characterization and In-silico toxicity prediction of degradation products of felbamate

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Rahul S. Chodankar ◽  
Anand A. Mahajan
Keyword(s):  
Mobile Phase ◽  
Degradation Products ◽  
Stress Conditions ◽  
Alkaline Stress ◽  
Toxicity Prediction ◽  
Mobile Phase Composition ◽  
International Council ◽  
Stress Studies ◽  
In Silico Toxicity ◽  
Ich Guideline

Abstract Background The objective of the work carried out was to assess the toxicity of the degradation products (DPs) for the drug felbamate. Stress studies were performed in the condition specified in the international council of harmonization (ICH) guideline Q1A (R2). Results The drug degraded under the alkaline stress conditions to generate two degradation products (DPs). They were separated on a Phenomenex C8 column (250 mm × 4.6 mm, 5 µm); mobile phase composition was 10 mM ammonium formate (pH adjusted to 3.7 with formic acid) and acetonitrile (80:20, v/v); flow rate and wavelength for recording absorbance were 1.0 ml/min and 206 nm, respectively. The structures of the degradation products were characterized by LC–MS/MS analysis. Conclusion The drug was prone to hydrolysis in the presence of alkali. It was found to be stable under other stress conditions, viz., acidic, neutral, thermal, photolytic and oxidative. The structures of the impurities were characterized by LC–MS/MS. The drug and the DPs were screened through ADME and toxicity prediction software’s like pkCSM, Toxtree and OSIRIS property explorer. Felbamate was flagged for possible hepatotoxicity.

scholarly journals Development and Validation of a Novel Stability-Indicating Reversed-Phase Ion-Pair Chromatographic Method for the Quantitation of Impurities in Marbofloxacin Tablets

2018 ◽  
Vol 101 (4) ◽  
pp. 1021-1029
Author(s):  
Priyanka Maheshwari ◽  
Neelima Shukla ◽  
Manish Kumar Dare
Keyword(s):  
Mobile Phase ◽  
Chromatographic Method ◽  
Degradation Products ◽  
Reversed Phase ◽  
Ion Pair ◽  
Stress Conditions ◽  
Main Peak ◽  
Stability Indicating ◽  
Photolytic Degradation ◽  
The Stability

Abstract A stability-indicating isocratic reversed-phase ion-pair chromatographic method was designed for the separation of impurities in the presence of degradation products. Marbofloxacin tablets and a placebo were exposed to the stress conditions of oxidative, acid, base, humidity, thermal, and photolytic degradation. Significant and moderate degradation was observed in acidic and oxidative stress conditions, respectively. The degradation products were well resolved from the main peak and its impurities, thus proving the stability-indicating analytical method. The method was developed by using an XTerra RP18 3.5 μm (150 × 4.6 mm) column, with the mobile phase containing a mixture of buffer (pH 2.5)–methanol–glacial acetic acid (77 + 23 + 0.5, v/v). The flow rate of the mobile phase was 1.2 mL/min, with a column oven temperature of 40°C and a detection wavelength of 315 nm. The proposed method met Veterinary International Conference on Harmonization requirements and was successfully used for impurity quantitation in marbofloxacin tablets.

scholarly journals Identification, isolation, structural characterization, in silico toxicity prediction and in vitro cytotoxicity assay of simeprevir acidic and oxidative degradation products

RSC Advances ◽  
2020 ◽  
Vol 10 (70) ◽  
pp. 42816-42826
Author(s):  
Rasha M. Ahmed ◽  
Marwa A. A. Fayed ◽  
Mohammed F. El-Behairy ◽  
Inas A. Abdallah
Keyword(s):  
Chronic Hepatitis ◽  
Degradation Products ◽  
Antiviral Drug ◽  
Oxidative Degradation ◽  
In Vitro Cytotoxicity ◽  
Toxicity Prediction ◽  
Direct Acting Antiviral ◽  
In Silico Toxicity ◽  
Direct Acting

Simeprevir is a new direct-acting antiviral drug used for the treatment of chronic hepatitis C.

Analytical Quality by Design (AQbD) Approach Based HPTLC Method for Quantification of Fisetin with Superior Recovery in Formulations

2020 ◽  
Vol 16 (2) ◽  
pp. 149-157
Author(s):  
Thasleem Moolakkadath ◽  
Mohd Aqil ◽  
Syed Sarim Imam ◽  
Abdul Ahad ◽  
Arshiya Praveen ◽  
...  
Keyword(s):  
High Performance ◽  
Degradation Products ◽  
Active Pharmaceutical Ingredient ◽  
Stress Conditions ◽  
Alkaline Stress ◽  
Capsule Formulation ◽  
Ich Guidelines ◽  
Phase Combination ◽  
Layer Chromatography ◽  
Hptlc Method

Background: A stability indicating high-performance thin layer chromatography (HPTLC) method was developed for the evaluation of fisetin (FIS) in active pharmaceutical ingredient (API) and marketed capsule formulation in accordance with the ICH guidelines. Methods: The mobile phase combination toluene: ethyl acetate: formic acid: methanol (3: 5.5: 1: 0.5 v/v/v/v) was optimized with the aid of AQbD approach. The absorbance mode at 254 nm was chosen for densitometric analysis as it gives a compact spot of FIS at Rf value of 0.74. Results: The R2 value obtained from the linear regression equation of calibration plots made by taking the spot in the concentration range of 100-1400 ng/spot was found to be 0.9993. The observed LOD and LOQ value was found to be 29.8 ng/spot and 98.5 ng/spot, respectively. The exposure of FIS to various stress conditions revealed the fact that the drug is stable in photochemical and dry heat stress conditions without any degradation. The drug-exposed to acidic, alkaline and oxidative stress was found to be degraded into different degradation products with the highest degradation was found in alkaline stress. All degradation products were observed to be fairly separated from well-resolved parent peak of FIS. Conclusion: The developed HPTLC method have shown well-resolved peaks and also shown good recovery in the compound FIS as well as FIS formulation.

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
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