In silico methods and tools for drug discovery
In the past, conventional drug discovery strategies have been successfully employed to
develop new drugs, but the process from lead identification to clinical trials takes more than …
develop new drugs, but the process from lead identification to clinical trials takes more than …
Computational methods in drug discovery
Computer-aided drug discovery/design methods have played a major role in the
development of therapeutically important small molecules for over three decades. These …
development of therapeutically important small molecules for over three decades. These …
Structure-based drug design to augment hit discovery
S Kalyaanamoorthy, YPP Chen - Drug discovery today, 2011 - Elsevier
Several technology-based strategies have been developed to address the significance of
the two phases of drug discovery: hit identification and lead identification. Structure-based …
the two phases of drug discovery: hit identification and lead identification. Structure-based …
A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies
AC Borisa, HG Bhatt - European journal of medicinal chemistry, 2017 - Elsevier
Aurora kinase belongs to serine/threonine kinase family which controls cell division.
Therapeutic inhibition of Aurora kinase showed great promise as probable anticancer …
Therapeutic inhibition of Aurora kinase showed great promise as probable anticancer …
[HTML][HTML] Application of computational methods for anticancer drug discovery, design, and optimization
D Prada-Gracia, S Huerta-Yépez… - Boletín Médico Del …, 2016 - Elsevier
Developing a novel drug is a complex, risky, expensive and time-consuming venture. It is
estimated that the conventional drug discovery process ending with a new medicine ready …
estimated that the conventional drug discovery process ending with a new medicine ready …
Aurora A kinase is a priority pharmaceutical target for the treatment of cancers
AP Damodaran, L Vaufrey, O Gavard… - Trends in pharmacological …, 2017 - cell.com
Aurora kinases control multiple events during cell cycle progression and are essential for
mitotic and meiotic bipolar spindle assembly and function. There are three Aurora kinases in …
mitotic and meiotic bipolar spindle assembly and function. There are three Aurora kinases in …
A cell biologist's field guide to aurora kinase inhibitors
CO De Groot, JE Hsia, JV Anzola, A Motamedi… - Frontiers in …, 2015 - frontiersin.org
Aurora kinases are essential for cell division and are frequently misregulated in human
cancers. Based on their potential as cancer therapeutics, a plethora of small molecule …
cancers. Based on their potential as cancer therapeutics, a plethora of small molecule …
Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237
The Aurora kinases regulate multiple aspects of mitotic progression, and their
overexpression in diverse tumor types makes them appealing oncology targets. An intensive …
overexpression in diverse tumor types makes them appealing oncology targets. An intensive …
A dynamic mechanism for allosteric activation of Aurora kinase A by activation loop phosphorylation
Many eukaryotic protein kinases are activated by phosphorylation on a specific conserved
residue in the regulatory activation loop, a post-translational modification thought to stabilize …
residue in the regulatory activation loop, a post-translational modification thought to stabilize …
A novel class of pyrazole analogues as Aurora kinase a inhibitor: design, synthesis, and anticancer evaluation
DB Yevale, N Teraiya, TD Lalwani, RK Ameta… - Bioorganic …, 2023 - Elsevier
Pyrazole, as a small molecule, was discovered for higher cytotoxicity and affinity towards
Aurora-A kinase. Based on these facts, a novel pyrazole substituted at the 4 th position was …
Aurora-A kinase. Based on these facts, a novel pyrazole substituted at the 4 th position was …