Topological Indices of Drugs Used in Rheumatoid Arthritis Treatment and Its QSPR Modeling

A topological index is a molecular descriptor derived from the molecular structure of a chemical substance. These indices can be used to analyze mathematical values and predict various physical properties of drugs. This article discusses tofacitinib, leflunomide, upadacinib, baricitinib, filgotinib,...

Full description

Saved in:
Bibliographic Details
Published in:Journal of mathematics (Hidawi) 2022-01, Vol.2022 (1)
Main Authors: Parveen, Saima, Farooq, Fozia Bashir, Awan, Nadeem Ul Hassan, Fanja, Rakotondrajao, Choudhary, Muhammad Farooq
Format: Article
Language:English
Subjects:
Arthritis
Biological activity
Boiling points
Drugs
Mathematics
Methotrexate
Molar volume
Molecular structure
Physical properties
Regression analysis
Rheumatoid arthritis
Topology
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A topological index is a molecular descriptor derived from the molecular structure of a chemical substance. These indices can be used to analyze mathematical values and predict various physical properties of drugs. This article discusses tofacitinib, leflunomide, upadacinib, baricitinib, filgotinib, methotrexate, and other drugs used to treat rheumatoid arthritis, and the goal of the QSPR study is to calculate the relationship between the properties under investigation (e.g., boiling point, polarity, and molar volume) and molecular descriptors. Topological indices (TIs) were imposed on said drugs to calculate the correlation with physicochemical properties in this course.
ISSN:2314-4629
2314-4785
DOI:10.1155/2022/1562125