Design and Synthesis of Quinoline‐Pyrazine Based Carboxamides: Leukemic Cancer Active Ugi Adducts

Author:

Piludiya Reshmabanu1,Kamdar Jignesh H.2ORCID,Khedkar Vijay M.3,Sangani Chetan B.4,Saeed Waseem Sharaf5,Christy Maria6,Teraiya Nishith7,Kapadiya Khushal1ORCID

Affiliation:

1. Bioresearch and Characterization Canter School of Science Department of Chemistry RK University Rajkot 360 020 Gujarat India

2. Department of Microbiology School of Science RK University Rajkot 360 020 Gujarat India

3. School of Pharmacy Vishwakarma University Pune Maharashtra 411 048 India

4. Department of Chemistry Government Science College Gandhinagar-382016 Gujarat University Gujarat India

5. Department of Restorative Dental Sciences College of Dentistry King Saud University P.O. Box 60169–15 Riyadh 11545 Saudi Arabia

6. Department of Energy Engineering Hanyang University 222 Wangsimni-ro, Seongdong-gu Seoul 04763 South Korea

7. Department of Pharmaceutical Chemistry K B Institute of Pharmaceutical Education and Research Kadi SarvaVishvavidhyalay Gandhinagar Gujarat 382023 India

Abstract

AbstractThe design and synthesis of new chemical entities (NCEs) with suitable physicochemical properties are playing a key role in medicinal research areas. Hence, we have designed and synthesized the 10 diverse scaffolds by rightly selecting the quinoline and pyrazine to articulate carboxamide derivatives in a single‐step process with maximum conversation in a shorter time through diverse studies of Ugi multi‐component reaction. Molecular docking studies against FMS‐like tyrosine kinase‐3 (FLT3) provided well‐clustered solutions for the binding modes of these molecules and shed light on the key structural features governing the binding affinity. Two carboxamides derivatives with 3,4,5‐trimethoxy, and chloro substituents showed comparable potency in Leukemia cell lines and medium efficacy in Breast and Melanoma cancer. These results suggest that pyrazine and quinoline‐based carboxamides may be prominent as new anti‐cancer agents in chemotherapy. Additionally, in silico analysis was employed to predict the comprehensive physicochemical ADME profile (absorption, distribution, metabolism, and excretion) of the carboxamide derivatives which was proven drug‐like properties.

Publisher

Wiley

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