In silico methods and tools for drug discovery

B Shaker, S Ahmad, J Lee, C Jung, D Na - Computers in biology and …, 2021 - Elsevier
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 …

Computational methods in drug discovery

G Sliwoski, S Kothiwale, J Meiler, EW Lowe - Pharmacological reviews, 2014 - ASPET
Computer-aided drug discovery/design methods have played a major role in the
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 …

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 …

[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 …

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 …

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 …

Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237

DA Sloane, MZ Trikic, MLH Chu… - ACS chemical …, 2010 - ACS Publications
The Aurora kinases regulate multiple aspects of mitotic progression, and their
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

EF Ruff, JM Muretta, AR Thompson, EW Lake… - Elife, 2018 - elifesciences.org
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 …

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 …