419707

Computational Evaluation of Heterocyclic Steroids: Physicochemical and Pharmacoki-netic Insights

Article

Last updated: 29 Mar 2025

Subjects

-

Tags

Drug design and formulation

Abstract

Cancer remains a significant global health challenge, driving the need for novel therapeutic agents with enhanced efficacy and reduced side effects. Steroidal compounds, particularly those incorporating heterocyclic rings, have shown promise in anticancer drug development due to their structural versatility and biological activity. This study employs in silico analysis using SwissADME to evaluate the physicochemical and pharmacokinetic properties of two novel heterocyclic steroidal derivatives, Cpd 8 and Cpd 14. Both compounds adhere to Lipinski's rule of five, indicating favorable drug-likeness and bioavailability scores. However, their high lipophilicity and poor water solubility may limit oral bioavailability. Pharmacokinetic predictions reveal differences in gastrointestinal absorption, with Cpd 14 exhibiting higher absorption than Cpd 8. Both compounds show no blood-brain barrier permeability, reducing the risk of central nervous system-related side effects. Additionally, metabolic stability assessments indicate potential interactions with cytochrome P450 enzymes, which could influence their therapeutic efficacy. While these findings highlight the potential of Cpd 8 and Cpd 14 as orally active anticancer agents, their low solubility and metabolic interactions underscore the need for structural optimization or formulation strategies to enhance bioavailability. This study provides valuable insights into the pharmacokinetic profiles of these compounds, serving as a foundation for further experimental validation and development of steroid-based anti-cancer therapies.

DOI

10.21608/rpbs.2025.359526.1356

Keywords

Heterocyclic Steroids: ADME Analysis, Lipinski's Rule, bioavailability

Authors

First Name

Shadeed

Last Name

Gad

MiddleName

-

Affiliation

Faculty of Pharmacy - Suez Canal University

Email

shaded_abdelrahman@pharm.suez.edu.eg

City

Ismailia

Orcid

0000-0001-7714-2267

First Name

Fouad

Last Name

Bardi

MiddleName

-

Affiliation

Ministry of Health, Kingdom of Saudi Arabia

Email

al_fouad15@hotmail.com

City

-

Orcid

-

First Name

Mohammed

Last Name

Amran

MiddleName

-

Affiliation

Department of Pharmacy, Faculty of Health Sciences, Thamar University, Thamar 87246, Yemen

Email

mohamran2024@uomanara.edu.iq

City

-

Orcid

-

First Name

Norehan

Last Name

Ghourab

MiddleName

-

Affiliation

Medical Union Pharmaceutical Company, Abu Sultan, Ismailia, Egypt.

Email

mghorab@hotmail.com

City

-

Orcid

-

First Name

Mohamed

Last Name

Tantawy

MiddleName

-

Affiliation

Hormones Department, Medical Research and Clinical Studies Institute, National Research Centre, Dokki, Giza 12622, Egypt

Email

mohamed_tantawy@daad-alumni.de

City

-

Orcid

-

First Name

Hossam

Last Name

elsawy

MiddleName

-

Affiliation

Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Egyptian Russian University, Badr City, Cairo, Egypt

Email

hossam-elsawy@eru.edu.eg

City

-

Orcid

-

Volume

9

Article Issue

3

Related Issue

54770

Issue Date

2025-03-01

Receive Date

2025-02-10

Publish Date

2025-03-01

Page Start

8

Page End

17

Print ISSN

2536-9857

Online ISSN

2535-2091

Link

https://rpbs.journals.ekb.eg/article_419707.html

Detail API

http://journals.ekb.eg?_action=service&article_code=419707

Order

419,707

Type

Original Article

Type Code

532

Publication Type

Journal

Publication Title

Records of Pharmaceutical and Biomedical Sciences

Publication Link

https://rpbs.journals.ekb.eg/

MainTitle

Computational Evaluation of Heterocyclic Steroids: Physicochemical and Pharmacoki-netic Insights

Details

Type

Article

Created At

29 Mar 2025