Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs

A topological index is a real number derived from the structure of a chemical graph. It helps determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree-based topological...

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Bibliographic Details
Published inDiscrete dynamics in nature and society Vol. 2023; pp. 1 - 13
Main Authors Farooq, Fozia Bashir, Parveen, Saima, Hassan Awan, Nadeem Ul, Fanja, Rakotondrajao
Format Journal Article
LanguageEnglish
Published New York Hindawi 25.11.2023
John Wiley & Sons, Inc
Hindawi Limited
Subjects
Acquired immune deficiency syndrome
AIDS
AIDS treatment
Analysis
Anti-HIV agents
Antiviral agents
Atazanavir
Biological properties
Blood cancer
Boiling points
Darunavir
Disease
Drug therapy
Drugs
Flash point
HIV
HIV (Viruses)
Human immunodeficiency virus
Immune system
Infections
Melting points
Organic compounds
Physical properties
Physiochemistry
Real numbers
Surface tension
Topology
Viral infections
Viruses
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Summary:A topological index is a real number derived from the structure of a chemical graph. It helps determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree-based topological indices. We examined some of the physiochemical characteristics of thirteen HIV therapy medications and created a QSPR model utilizing nine of the medication’s topological indices. The melting point, boiling point, flash point, complexity, surface tension, etc., of HIV medicines are closely related according to this QSPR model. This work can help to design and synthesize new HIV treatments and other disease drugs.
ISSN:1026-0226
1607-887X
DOI:10.1155/2023/9963241