Cancer is considered one of the most lethal diseases responsible for causing deaths worldwide.Although there have been many breakthroughs in anticancer development,cancer remains the major cause of death globally.In t...Cancer is considered one of the most lethal diseases responsible for causing deaths worldwide.Although there have been many breakthroughs in anticancer development,cancer remains the major cause of death globally.In this regard,targeting cancer-causing enzymes is one of the efficient therapeutic strategies.Biological functions like cell cycle,transcription,metabolism,apoptosis,and other depend primarily on cyclin-dependent kinases(CDKs).These enzymes help in the replication of DNA in the normal cell cycle process,and deregulation in the functioning of any CDK can cause abnormal cell growth,which leads to cancer.This review is focused on anticancer drug discovery against cell cycle CDK enzyme using an in silico technique,i.e.,molecular docking studies.Molecular docking helps in deciphering the key interactions formed within the inhibitor and the respective enzyme.This concise study provides an overview of the most current in silico research advancements made in the field of anticancer drug discovery.The findings presented in the current review article can help in understanding the nature of inhibitor-target interactions and provide information on the structural and molecular prerequisites for the inhibition of cell cycle CDKs.展开更多
A small focused library of eighteen new 1,2,3-triazole tethered acetophenones has been efficiently prepared via click chemistry approach and evaluated for their antifungal and antioxidant activity.The antifungal activ...A small focused library of eighteen new 1,2,3-triazole tethered acetophenones has been efficiently prepared via click chemistry approach and evaluated for their antifungal and antioxidant activity.The antifungal activity was evaluated against five human pathogenic fungal strains：Candida albicans,Fusarium oxysporum,Aspergillus flavus,Aspergillus niger,and Cryptococcus neoformans.Among the synthesized compounds,9c,9i,and 9p found to be more potent antifungal agents that the reference standard.These 1,2,3-triazole based derivatives were also evaluated for antioxidant activity,and compound 9h was found to be the most potent antioxidant as compared to the standard drug.Furthermore,molecular docking study of the newly synthesized compounds was performed and results showed good binding mode in the active site of fungal C.albicans enzyme P450 cytochrome lanosterol14oi-demethylase.Moreover,the synthesized compounds were also analyzed for ADME properties and showed potential as good oral drug candidates.展开更多
文摘Cancer is considered one of the most lethal diseases responsible for causing deaths worldwide.Although there have been many breakthroughs in anticancer development,cancer remains the major cause of death globally.In this regard,targeting cancer-causing enzymes is one of the efficient therapeutic strategies.Biological functions like cell cycle,transcription,metabolism,apoptosis,and other depend primarily on cyclin-dependent kinases(CDKs).These enzymes help in the replication of DNA in the normal cell cycle process,and deregulation in the functioning of any CDK can cause abnormal cell growth,which leads to cancer.This review is focused on anticancer drug discovery against cell cycle CDK enzyme using an in silico technique,i.e.,molecular docking studies.Molecular docking helps in deciphering the key interactions formed within the inhibitor and the respective enzyme.This concise study provides an overview of the most current in silico research advancements made in the field of anticancer drug discovery.The findings presented in the current review article can help in understanding the nature of inhibitor-target interactions and provide information on the structural and molecular prerequisites for the inhibition of cell cycle CDKs.
基金the University Grant Commission-Department of Science and Technology New Delhi for financial support under UGC-SAP and DST-FIST schemes
文摘A small focused library of eighteen new 1,2,3-triazole tethered acetophenones has been efficiently prepared via click chemistry approach and evaluated for their antifungal and antioxidant activity.The antifungal activity was evaluated against five human pathogenic fungal strains：Candida albicans,Fusarium oxysporum,Aspergillus flavus,Aspergillus niger,and Cryptococcus neoformans.Among the synthesized compounds,9c,9i,and 9p found to be more potent antifungal agents that the reference standard.These 1,2,3-triazole based derivatives were also evaluated for antioxidant activity,and compound 9h was found to be the most potent antioxidant as compared to the standard drug.Furthermore,molecular docking study of the newly synthesized compounds was performed and results showed good binding mode in the active site of fungal C.albicans enzyme P450 cytochrome lanosterol14oi-demethylase.Moreover,the synthesized compounds were also analyzed for ADME properties and showed potential as good oral drug candidates.
