In Silico/Computational Assessment for the Evaluation of Genotoxic Impurities

2014 ◽  
pp. 210-227
Keyword(s):  
In Silico ◽  
Genotoxic Impurities

A reliable workflow for in silico assessment of genetic toxicity and application to pharmaceutical genotoxic impurities

2016 ◽  
Vol 258 ◽  
pp. S59
Author(s):  
C.H. Schwab ◽  
J.F. Rathman ◽  
J. Marusczyk ◽  
A. Mostrag ◽  
B. Bienfait ◽  
...  
Keyword(s):  
In Silico ◽  
Genetic Toxicity ◽  
Genotoxic Impurities

In silico assessment of genotoxic impurities: Case-studies using ChemTunes Studio

2015 ◽  
Vol 238 (2) ◽  
pp. S172
Author(s):  
E. Fioravanzo ◽  
C. Yang ◽  
J.F. Rathman ◽  
C.H. Schwab ◽  
S. Kovarich ◽  
...  
Keyword(s):  
Case Studies ◽  
In Silico ◽  
Genotoxic Impurities

In silico approaches to predicting cancer potency for risk assessment of genotoxic impurities in drug substances

2010 ◽  
Vol 57 (2-3) ◽  
pp. 300-306 ◽  
Author(s):  
Joel P. Bercu ◽  
Stuart M. Morton ◽  
J. Thom Deahl ◽  
Vijay K. Gombar ◽  
Courtney M. Callis ◽  
...  
Keyword(s):  
Risk Assessment ◽  
In Silico ◽  
Drug Substances ◽  
Genotoxic Impurities

scholarly journals GENOTOXIC IMPURITIES: AN IMPORTANT REGULATORY ASPECT

2020 ◽  
pp. 10-25 ◽  
Author(s):  
ANITA R POUNIKAR ◽  
MILIND J UMEKAR ◽  
KRISHNA R GUPTA
Keyword(s):  
In Silico ◽  
High Performance ◽  
Drug Application ◽  
Data Interpretation ◽  
Regulatory Agencies ◽  
Chromosomal Structure ◽  
New Drug ◽  
Regulatory Guidelines ◽  
Genotoxic Impurities ◽  
New Drug Application

Genotoxins are agents/carriers such as chemical or radiation that can cause the damage to DNA or chromosomal structure, thereby causing mutations and the process are called as genotoxicity. Identification and understanding of genotoxins at a primary stage of drug development would enable us to prevent the potential damage that can be caused by these genotoxic agents. Various regulatory agencies such as International Council for Harmonization and EMEA, USFDA, European Pharmacopeia guidance, guidance for oncology products provide guidelines to limits the level of impurities in drug substances and drug products. Nowadays, conventional protocol of isolation, various spectral analysis high-performance liquid chromatography (LC), Fourier transform infrared to on-line analysis using modern, sophisticated hyphenated tools, like gas chromatography-mass spectroscopy, LC-MS so on, as well as modern software based in silico drug designs are extensively used by industry, research, and development areas and also there is tremendous increase in publications in the literature involving their use. Our review article focused on the various regulatory guidelines, application of hyphenated tools, and in silico techniques in genotoxic impurity and degradation product profiling of small molecules. A brief explanation is made on possible pitfalls in the experimentation and data interpretation. From this review, it concluded that there are various countries having their own regulatory agencies and regulatory guidelines for drug approvals, which may be followed by applying new chemical entities the new drug application title (NDA) in new drug application as well as there are various conventional to modern software based techniques to quantification of genotoxic impurities.

A systematic review with in silico analysis on transcriptomic profile of gallbladder carcinoma

2020 ◽  
Vol 47 (6) ◽  
pp. 398-408
Author(s):  
Sonam Tulsyan ◽  
Showket Hussain ◽  
Balraj Mittal ◽  
Sundeep Singh Saluja ◽  
Pranay Tanwar ◽  
...  
Keyword(s):  
Systematic Review ◽  
Gallbladder Carcinoma ◽  
In Silico ◽  
In Silico Analysis ◽  
Transcriptomic Profile ◽  
Silico Analysis

Common and well-documented Allele List: unverzichtbares Hilfsmittel für die moderne HLA-Typisierung

2019 ◽  
Vol 9 (04) ◽  
pp. 241-245
Author(s):  
Nils Lachmann ◽  
Diana Stauch ◽  
Axel Pruß
Keyword(s):  
In Silico ◽  
Regionale Unterschiede

ZusammenfassungDie Typisierung der humanen Leukozytenantigene (HLA) vor Organ- und hämatopoetischer Stammzelltransplantation zur Beurteilung der Kompatibilität von Spender und Empfänger wird heutzutage in der Regel molekulargenetisch mittels Amplifikation, Hybridisierung oder Sequenzierung durchgeführt. Durch die exponentiell steigende Anzahl an neu entdeckten HLA-Allelen treten vermehrt Mehrdeutigkeiten, sogenannte Ambiguitäten, in der HLA-Typisierung auf, die aufgelöst werden müssen, um zu einem eindeutigen Ergebnis zu gelangen. Mithilfe kategorisierter Allelfrequenzen (häufig, gut dokumentiert und selten) in Form von CWD-Allellisten (CWD: common and well-documented) ist die In-silico-Auflösung von Ambiguitäten durch den Ausschluss seltener Allele als mögliches Ergebnis realisierbar. Ausgehend von einer amerikanischen CWD-Liste existieren derzeit auch eine europäische, deutsche und chinesische CWD-Liste, die jeweils regionale Unterschiede in den Allelfrequenzen erkennbar werden lassen. Durch die Anwendung von CWD-Allelfiltern in der klinischen HLA-Typisierung können Zeit, Kosten und Arbeitskraft eingespart werden.

In silico strategy for the identification of cyclooxygenase inhibitors from the Thai medicinal mixture Prasaplai

Planta Medica ◽  
2010 ◽  
Vol 76 (12) ◽  
Author(s):  
B Waltenberger ◽  
D Schuster ◽  
S Paramapojn ◽  
W Gritsanapan ◽  
G Wolber ◽  
...  
Keyword(s):  
In Silico ◽  
Cyclooxygenase Inhibitors
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