Successful applications of computer aided drug discovery: moving drugs from concept to the clinic.

By Tanaji T. Talele, Santosh A. Khedkar, A. C. Rigby. Current Topics in Medicinal Chemistry, 2010

344 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology, Pharmacology

View Paper: https://www.semanticscholar.org/paper/6718d683573865987a631299ae55b1f77748fc5a

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Stefano Moro
2. Veronica Salmaso
3. Anastasiia V. Sadybekov
4. Sandeepkumar Kothiwale
5. Jens Meiler
6. E. W. Lowe
7. Chanjin Jung
8. Jingyu Lee

In Molecular Biology

1. Jens Meiler
2. Anastasiia V. Sadybekov
3. Stefano Moro
4. Sandeepkumar Kothiwale
5. E. W. Lowe
6. Chanjin Jung
7. Jingyu Lee
8. Alisson Marques da Silva

In Pharmacology

1. Stefano Moro
2. Veronica Salmaso
3. Sandeepkumar Kothiwale
4. Jens Meiler
5. E. W. Lowe
6. Gregory Sliwoski
7. R. Quiroga
8. Alexander D. MacKerell

Citations in the corpus

• Computational Methods in Drug Discovery (2014, background): “…approved in 1995 (Vijayakrishnan 2009); the angiotensin-converting enzyme (ACE) inhibitor captopril, approved in 1981 as an antihypertensive drug (Talele et al., 2010); three therapeutics for the treatment of human immunodeficiency virus (HIV): saquinavir (approved in 1995), ritonavir, and…”
• Structure-Based Virtual Screening: From Classical to Artificial Intelligence (2020, background): “…antiviral for influenza virus), aliskiren (antihypertensive drug), boceprevir (protease inhibitor used for the treatment of hepatitis C), nolatrexed (in phase III clinical trial for the treatment of liver cancer) (Talele et al., 2010; Sliwoski et al., 2013; Devi et al., 2015; Nunes et al., 2019).”
• Protein structure-based drug design: from docking to molecular dynamics. (2018, background): “Development of several approved drugs including early examples of cap-topril [2], saquinavir, ritonavir, indinavir [3], and tirofiban [4], has benefited substantially from the use of computer-aided drug design (CADD), which nowadays constitutes an essential part of the discovery pipeline at…”
• Computational approaches streamlining drug discovery (2023, background): “There have been success stories along the way 5 and, in general, computer-assisted approaches have become an integral, yet modest, part of the drug discovery process 6,7 .”
• Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview (2018, background): “Among the drugs approved by the Food and Drug Administration, few examples of successful applications of CADD are available (Talele et al., 2010).”
• In silico methods and tools for drug discovery (2021, background): “Although this approach requires prior information on the known active molecules of the target protein, many compounds have been discovered to treat diseases and are compiled in public databases unless the target is novel [19 – 21].”