The IRMA Community
Newsletters
Research IRM
Click a keyword to search titles using our InfoSci-OnDemand powered search:
|
An Introduction to the Basic Concepts in QSAR-Aided Drug Design
Abstract
The need for the development of new drugs to combat existing and newly identified conditions is unavoidable. One of the important tools used in the advanced drug development pipeline is computer-aided drug design. Traditionally, to find a drug many ligands were synthesized and evaluated for their effectiveness using suitable bioassays and if all other drug-likeness features were met, the candidate(s) would possibly reach the market. Although this approach is still in use in advanced format, computational methods are an indispensable component of modern drug development projects. One of the methods used from very early days of rationalizing the drug design approaches is Quantitative Structure-Activity Relationship (QSAR). This chapter overviews QSAR modeling steps by introducing molecular descriptors, mathematical model development for relating biological activities to molecular structures, and model validation. At the end, several successful cases where QSAR studies were used extensively are presented.
Related Content
|
Genevieve Z. Steiner-Lim, Madilyn Coles, Kayla Jaye, Najwa-Joelle Metri, Ali S. Butt, Katerina Christofides, Jackson McPartland, Zainab Al-Modhefer, Diana Karamacoska, Ethan Russo, Tim Karl.
© 2023.
47 pages.
|
|
Mohd Kashif, Mohammad Waseem, Poornima D. Vijendra, Ashok Kumar Pandurangan.
© 2023.
28 pages.
|
|
Courtney R. Acker, Rana R. Zeine.
© 2023.
27 pages.
|
|
Mahesh Pattabhiramaiah, Shanthala Mallikarjunaiah.
© 2023.
16 pages.
|
|
Dhairavi Shah, Dhaara Shah, Yara Mohamed, Danna Rosas, Alyssa Moffitt, Theresa Hearn Haynes, Francis Cortes, Taunjah Bell Neasman, Phani kumar Kathari, Ana Villagran, Rana R. Zeine.
© 2023.
28 pages.
|
|
Mohammad Uzair, Hammad Qaiser, Muhammad Arshad, Aneesa Zafar, Shahid Bashir.
© 2023.
23 pages.
|
|
Akila Muthuramalingam, Ashok Kumar Pandurangan, Subhamoy Banerjee.
© 2023.
17 pages.
|
|
|