Author(s):
Gopal Muthuboopathi, Arthanari Saravanakumar, Sangeetha Saravanan, Govindaraj Anandharaj, Heera Gurusamy, Mahalingam Loganathan, Prakash Manivasakam, Narayanan Venkateshan3, Balasubramanian Lakshminarayanan, Balasubramaniam Periyanayaki, Dhanush Kumar Kesavan, Shreevarshaa Selvamani, Vaishnavi Kanagarajan, Periyasamy Parthiban
Email(s):
drparthiban82@gmail.com
DOI:
10.52711/0974-360X.2026.00536 
Address:
Gopal Muthuboopathi2, Arthanari Saravanakumar1, Sangeetha Saravanan1, Govindaraj Anandharaj1, Heera Gurusamy1, Mahalingam Loganathan1, Prakash Manivasakam1, Narayanan Venkateshan3, Balasubramanian Lakshminarayanan4, Balasubramaniam Periyanayaki1, Dhanush Kumar Kesavan1, Shreevarshaa Selvamani1, Vaishnavi Kanagarajan1, Periyasamy Parthiban1*
1The TN MGR Medical University, Chennai, Vellalar College of Pharmacy, Maruthi Nagar, Thindal Post, Erode - 638 012, Tamilnadu, India.
2The Tamilnadu Dr MGR Medical University, Chennai, Vivekanandha Pharmacy College for Women, Sankagiri - 637 303 Salem, Tamilnadu, India.
3The TN MGR Medical University, Chennai, Arulmigu Kalasalingam College of Pharmacy, Anand Nagar, Krishnankovil, Srivilliputhur – 626 126, Tamilnadu, India.
4Kerala University of Health Sciences, Thrissur, Madin College of Pharmacy, Melmuri Post, Malapuram – 676 517, Kerala, India.
*Corresponding Author
Published In:
Volume - 19,
Issue - 8,
Year - 2026
ABSTRACT:
Background: In modern drug discovery, molecular docking analysis is routinely used to understand and predict the interaction between a drug molecule and a target protein from a microbe. Drugs identified in this way may inhibit the entry and replication of pathogens in host cells. Aim: Based on a literature survey, the current study explored some substituted hydrazine derivatives' anticancer and antitubercular potential. The synthesized compounds can be docked against Breast cancer (PDB ID: 7JXH) and Tuberculosis (PDB ID: 3UCI) target proteins by the molecular docking technique. Method: Molecular docking was done using igemdockv2.1 software. The binding efficiency of ligands was scored based on their predicted pharmacological interactions and binding energy estimates. In docking analysis for anticancer and anti-tubercular potential, compound ABSb was found to have the highest binding affinity with the viral HER2 and MBTB protein, followed by compounds ABSc, ABSa, ABSe and ABSd. Also, amino acid residues comprise the viral and bacterial binding site and the nature of the hydrogen bonding involved in the ligand-receptor interaction. Results and conclusion: It revealed significant findings with tested compound ABSb binding at four and three amino acid residues with the binding energy of -117.7kcal/mole with cancer and -71.98kcal/mole with TB protein, respectively. The binding sites are near the amino acids required for virus and bacterial pathogenicity. This analysis may help create a new drug development to prevent or cure cancer and TB.
Cite this article:
Gopal Muthuboopathi, Arthanari Saravanakumar, Sangeetha Saravanan, Govindaraj Anandharaj, Heera Gurusamy, Mahalingam Loganathan, Prakash Manivasakam, Narayanan Venkateshan3, Balasubramanian Lakshminarayanan, Balasubramaniam Periyanayaki, Dhanush Kumar Kesavan, Shreevarshaa Selvamani, Vaishnavi Kanagarajan, Periyasamy Parthiban. An In silico Anticancer and Antitubercular potential of Aryl/Alkyl Amino Substituted-dene-2-(1,3-diphenylallylidene) hydrazine derivatives against HER2 and MBTB gyrase type IIA topoisomerase inhibitors. Research Journal of Pharmacy and Technology. 2026;19(8):3802-8. doi: 10.52711/0974-360X.2026.00536
Cite(Electronic):
Gopal Muthuboopathi, Arthanari Saravanakumar, Sangeetha Saravanan, Govindaraj Anandharaj, Heera Gurusamy, Mahalingam Loganathan, Prakash Manivasakam, Narayanan Venkateshan3, Balasubramanian Lakshminarayanan, Balasubramaniam Periyanayaki, Dhanush Kumar Kesavan, Shreevarshaa Selvamani, Vaishnavi Kanagarajan, Periyasamy Parthiban. An In silico Anticancer and Antitubercular potential of Aryl/Alkyl Amino Substituted-dene-2-(1,3-diphenylallylidene) hydrazine derivatives against HER2 and MBTB gyrase type IIA topoisomerase inhibitors. Research Journal of Pharmacy and Technology. 2026;19(8):3802-8. doi: 10.52711/0974-360X.2026.00536 Available on: https://www.rjptonline.org/AbstractView.aspx?PID=2026-19-8-53
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