Skip to content
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Menu
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Menu
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
Synthesis, in silico study, and anti-cancer activity of thiosemicarbazone derivatives
Biomedicines, Volume 9, No. 10, Article 1375, Year 2021
Notification
URL copied to clipboard!
Description
Thiosemicarbazones are known for their biological and pharmacological activities. In this study, we have synthesized and characterized 3-Methoxybenzaldehyde thiosemicarbazone (3-MBTSc) and 4-Nitrobenzaldehyde thiosemicarbazone (4-NBTSc) using IR,1HNMR and13C NMR. The compound’s in vitro anticancer activities against different cell lines were evaluated. Molecular docking, Insilco ADMET, and drug-likeness prediction were also done. The test compounds showed a comparative IC50 and growth inhibition with the standard drug Doxorubicin. The IC50 ranges from 2.82 µg/mL to 14.25 µg/mL in 3-MBTSc and 2.80 µg/mL to 7.59 µg/mL in 4-NBTSc treated cells. The MTT assay result revealed, 3-MBTSc inhibits 50.42 and 50.31 percent of cell growth in B16-F0 and EAC cell lines, respectively. The gene expression showed that tumor suppressor genes such as PTEN and BRCA1 are significantly upregulated in 7.42 and 5.33 folds, and oncogenes, PKC, and RAS are downregulated −7.96 and −7.64 folds, respectively in treated cells. The molecular docking performed on the four targeted proteins (PARP, VEGFR-1, TGF-β1, and BRAFV600E) indicated that both 4-NBTSc and 3-MBTSc potentially bind to TGF-β1 with the best binding energy of −42.34 Kcal/mol and −32.13 Kcal/mol, respectively. In addition, the test compound possesses desirable AD-MET and drug-likeness properties. Overall, both 3-MBTSc and 4-NBTSc have the potential to be multitargeting drug candidates for further study. Moreover, 3-MBTSc showed better activity than 4-NBTSc. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.
Authors & Co-Authors
Gupta, Piyush Kumar
India, Greater Noida
Sharda University
Taneja, Pankaj
India, Greater Noida
Sharda University
Jha, Niraj Kumar
India, Greater Noida
Sharda University
Dua, Kamal
Australia, Sydney
University of Technology Sydney
Singh, Sachin Kumar
India, Phagwara
Lovely Professional University
Pandey, Sadanand
South Korea, Gyeongsan
Yeungnam University
Sláma, Petr
Czech Republic, Brno
Mendelova Univerzita V Brně
Kesari, Kavindra Kumar
Finland, Espoo
Aalto University
Roychoudhury, Shubhadeep
India, Silchar
Assam University
Statistics
Citations: 12
Authors: 9
Affiliations: 9
Identifiers
Doi:
10.3390/biomedicines9101375
ISSN:
22279059
Research Areas
Cancer
Genetics And Genomics