Computer Aided Design and Synthesis of Certain Heterocyclic Compounds with potential Biological Activity
Madonna Michael Adeeb Mitry;
Abstract
Flaviviridae family comprises the flavivirus genotype which represent a significant world health problem as it includes the Yellow fever virus and Zika virus for which novel therapies are in urgent demand. The benzoimidazole scaffold has been widely reported for its antiviral activity. In this thesis a novel class of anti-Flavivirus agents containing benzimidazole scaffold were designed, synthesized and biologically evaluated for their antiviral activity.
It contains a survey covering Flaviviridae family, epidemiology, prevalence, virus genome, life cycle, viral proteins, possible antiviral targets and current treatment with emphasis on flavivirus and literature review on the reported ZIKV and YFV inhibitors.
2-Rationale and design:
The objective of our research was to design new benzimidazole derivatives as anti-flaviviral agents. The design of these compounds was based on bioisosteric modification strategy of previously reported benzimidazole-based anti-flavivirus agents supported by molecular modeling study using Discovery Studio 2.5 software. This lead to design 35 new target molecules VIIa-zi. Synthesis of target compounds was carried out adopting the chemical pathway outlined in schemes (1, 2).
It contains a survey covering Flaviviridae family, epidemiology, prevalence, virus genome, life cycle, viral proteins, possible antiviral targets and current treatment with emphasis on flavivirus and literature review on the reported ZIKV and YFV inhibitors.
2-Rationale and design:
The objective of our research was to design new benzimidazole derivatives as anti-flaviviral agents. The design of these compounds was based on bioisosteric modification strategy of previously reported benzimidazole-based anti-flavivirus agents supported by molecular modeling study using Discovery Studio 2.5 software. This lead to design 35 new target molecules VIIa-zi. Synthesis of target compounds was carried out adopting the chemical pathway outlined in schemes (1, 2).
Other data
| Title | Computer Aided Design and Synthesis of Certain Heterocyclic Compounds with potential Biological Activity | Other Titles | تصميم دوائي بالحاسوب و تشييد مركبات غير متجانسة الحلقة ذات الفاعليه البيولوجية المحتملة | Authors | Madonna Michael Adeeb Mitry | Issue Date | 2018 |
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