Related Experiment Video
Updated: May 21, 2026
Evaluating the Effectiveness of Cancer Drug Sensitization In Vitro and In Vivo
Published on: February 6, 2015
In silico evaluation of TERT inhibition by anticancer drugs
Porika Mahendar1, Kalam Sirisha, Umasankar Kulandaivelu
1Department of Biotechnology, Kakatiya University, Warangal 506009, Andhra Pradesh, India.
Abstract:
The activation of telomerase represents an early step in carcinogenesis. Increased telomerase expression in malignant tumors suggests that telomerase inactivation may represent a potential chemotherapeutic target. In this work, existing anticancer drugs were docked against telomerase reverse transcriptase (TERT) using a Lamarckian genetic algorithm (LGA). Autodock's scoring function was applied to each of the molecules in order to identify the inhibitor with the strongest pharmacological action. The structural insights provided by this study regarding binding poses and possible interactions, free energies of binding, and drug scores aided in the identification of potential inhibitory compounds. The ranks of the various ligands investigated were based on the final docked energy values. Among nine selected compounds, vindesine, temsirolimus, and cyclosporine were found to be more potent TERT inhibitors than the standard inhibitor, curcumin.
Insights
Telomerase activation is key in cancer. Researchers docked existing drugs against telomerase reverse transcriptase (TERT), identifying vindesine, temsirolimus, and cyclosporine as potent inhibitors for potential cancer therapy.
Area of Science:
- Biochemistry
- Pharmacology
- Computational Chemistry
Background:
- Telomerase activation is an early event in cancer development.
- Increased telomerase expression in tumors highlights its potential as a chemotherapeutic target.
- Inactivating telomerase could be a viable strategy for cancer treatment.
Purpose of the Study:
- To computationally screen existing anticancer drugs for their potential to inhibit telomerase.
- To identify novel inhibitors of telomerase reverse transcriptase (TERT) among known drugs.
- To provide structural insights into drug-TERT interactions for therapeutic development.
Main Methods:
- Molecular docking of existing anticancer drugs against the TERT protein.
- Utilizing a Lamarckian genetic algorithm (LGA) for docking simulations.
- Applying Autodock's scoring function to evaluate binding affinity and identify potent inhibitors.
Main Results:
- Vindesine, temsirolimus, and cyclosporine demonstrated higher inhibitory potential against TERT compared to curcumin.
- The study identified specific binding poses, interactions, and free energies of binding for the tested compounds.
- Drug scores and docked energy values were used to rank the inhibitory efficacy of the ligands.
Conclusions:
- Vindesine, temsirolimus, and cyclosporine are promising candidates for TERT-targeted cancer therapy.
- Computational docking provides valuable structural insights for drug discovery against TERT.
- Targeting TERT with existing drugs offers a potential new avenue for cancer treatment.
