Synthesis, biological evaluation, and molecular docking of novel 1,3,4-substituted-thiadiazole derivatives as potential anticancer agent

Shaikh SA, Wakchaure S, Labhade SR, Kale RR, Alavala RR, Chobe SS, Jain KS, Labhade HS, Bhanushali DD (2024)

Publication Type: Journal article

Publication year: 2024

Journal

BMC Chemistry BioMed Central

Book Volume: 18

Article Number: 119

Journal Issue: 1

DOI: 10.1186/s13065-024-01196-1

Abstract

In an attempt to develop potent anti-cancer agents, a new 1,3,4-substituted-thiadiazole derivatives (8b-g), starting from 4-substituted-thiazol-2-chloroacetamides (4b-g), were synthesized and evaluated for their cytotoxic effects on multiple human cancer cell lines, including the hepatocellular carcinoma (HEPG-2), human lung carcinoma (A549), human breast carcinoma (MCF-7) and pseudo-normal human embryonic liver (L02) cancer cell lines by an MTT assay. Among all synthesized compounds, compound 8d showed the potent anti-cancer activities with GI50 values of 2.98, 2.85 and 2.53 μM against MCF-7, A549 and HepG-2 cell lines respectively as compared to standard drug Doxorubicin. Furthermore, molecular modelling studies have spotlighted the anchoring role of 1,3,4-substituted-thiadiazole moiety in bonding and hydrophobic interaction with the key amino acid residues. Therefore, these results can provide promising starting points for further development of best anti-cancer agents. Graphical Abstract: (Figure presented.)

Authors with CRIS profile

Satish Wakchaure Lehrstuhl für Pharmazeutische Chemie

Involved external institutions

Savitribai Phule Pune University IN India (IN) Narsee Monjee Institute of Management Studies (NMIMS) IN India (IN)

How to cite

APA:

Shaikh, S.A., Wakchaure, S., Labhade, S.R., Kale, R.R., Alavala, R.R., Chobe, S.S.,... Bhanushali, D.D. (2024). Synthesis, biological evaluation, and molecular docking of novel 1,3,4-substituted-thiadiazole derivatives as potential anticancer agent. BMC Chemistry, 18(1). https://doi.org/10.1186/s13065-024-01196-1

MLA:

Shaikh, Samin A., et al. "Synthesis, biological evaluation, and molecular docking of novel 1,3,4-substituted-thiadiazole derivatives as potential anticancer agent." BMC Chemistry 18.1 (2024).

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