Molecular Topological Properties of Alkylating Agents Based Anticancer Drug Candidates Via Some Ve-degree Topological Indices

Author(s): Süleyman Ediz*, Murat Cancan.

Journal Name: Current Computer-Aided Drug Design

Volume 16 , Issue 2 , 2020

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Graphical Abstract:


Background: Reckoning molecular topological indices of drug structures gives the data about the underlying topology of these drug structures. Novel anticancer drugs have been leading by researchers to produce ideal drugs.

Materials and Methods: Pharmacological properties of these new drug agents explored by utilizing simulation strategies. Topological indices additionally have been utilized to research pharmacological properties of some drug structures. Novel alkylating agents based anticancer drug candidates and ve-degree molecular topological indices have been introduced recently.

Results and Conclusion: In this study we calculate ve-degree atom-bond connectivity, harmonic, geometric-arithmetic and sum-connectivity molecular topological indices for the newly defined alkylating agents based dual-target anticancer drug candidates.

Keywords: Theoretical pharmacy, alkylating agents, dual-target anticancer drug candidates, topological indices, Ev-degree topological indices, Pharmacological properties.

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Article Details

Year: 2020
Page: [190 - 195]
Pages: 6
DOI: 10.2174/1573409915666190807145908
Price: $65

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PDF: 8