Computational methods have significantly transformed biomedical research,offering a comprehensive exploration of disease mechanisms and molecular protein functions.This article reviews a spectrum of computational tools...Computational methods have significantly transformed biomedical research,offering a comprehensive exploration of disease mechanisms and molecular protein functions.This article reviews a spectrum of computational tools and network analysis databases that play a crucial role in identifying potential interactions and signaling networks contributing to the onset of disease states.The utilization of protein/gene interaction and genetic variation databases,coupled with pathway analysis can facilitate the identification of potential drug targets.By bridging the gap between molecular-level information and disease understanding,this review contributes insights into the impactful utilization of computational methods,paving the way for targeted interventions and therapeutic advancements in biomedical research.展开更多
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
基金This work was supported by EU funding within the NextGenerationEU-MUR PNRR Extended Partnership Initiative on Emerging Infectious Diseases(Project No.PE00000007,INF-ACT)。
文摘Computational methods have significantly transformed biomedical research,offering a comprehensive exploration of disease mechanisms and molecular protein functions.This article reviews a spectrum of computational tools and network analysis databases that play a crucial role in identifying potential interactions and signaling networks contributing to the onset of disease states.The utilization of protein/gene interaction and genetic variation databases,coupled with pathway analysis can facilitate the identification of potential drug targets.By bridging the gap between molecular-level information and disease understanding,this review contributes insights into the impactful utilization of computational methods,paving the way for targeted interventions and therapeutic advancements in biomedical research.
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.
