Novel adamantyl clubbed iminothiazolidinones as promising elastase inhibitors: design, synthesis, molecular docking, ADMET and DFT studies

Author:

Ahmed Atteeque1,Saeed Aamer1ORCID,Ejaz Syeda Abida2ORCID,Aziz Mubashir2,Hashmi Muhammad Zaffar3,Channar Pervaiz Ali14,Abbas Qamar5,Raza Hussain6ORCID,Shafiq Zahid7ORCID,El-Seedi Hesham R.8910

Affiliation:

1. Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, Pakistan

2. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan

3. Department of Chemistry, COMSATS University, Islamabad, Pakistan

4. Department of Basic Sciences, Mathematics and Humanities, Dawood University of Engineering and Technology, Karachi 74800, Pakistan

5. Department of Biology, College of Science, University of Bahrain, Sakhir, Kingdom of Bahrain

6. Department of Biological Sciences, College of Natural Sciences, Kongju National University, 56 Gongjudehak-Ro, Gongju, Chungnam 314-701, Republic of Korea

7. Department of Chemistry, Bahauddin Zakariya University, Bosan Road, Multan, Pakistan

8. School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, China

9. International Joint Research Laboratory of Intelligent Agriculture and Agri-Products Processing, Jiangsu Education Department, Jiangsu University, Zhenjiang, China

10. Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom 32512, Egypt

Abstract

Structurally diverse adamantyl-iminothiazolidinone conjugates were synthesized, evaluated for elastase inhibition, and subjected to in silico ADMET prediction. The inhibition studies revealed compounds 5a, 5f, 5g, and 5h to show significant activity.

Funder

Quaid-i-Azam University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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