Natural Science > Chemistry > DG CY2020 8132 2

Research Title Synthesis of Deguelin, Rotenone, and Small Molecule Derivatives as Anticancer Agents (Year 2 of 3)
Research Personnel Leader:

Research Duration Start:
1 July 2019
30 June 2022
Research Location UPD-IC
Research Description The project will further modify deguelin and rotenone with the aid of in silico prediction and docking and QSAR studies, test their anticancer properties as well as cytotoxicity (hepatotoxicity and nephrotoxicity) and optimize the properties of 3 the lead compounds that were identified in phase 1. The phase 1 of this project was focused on derivatization of deguelin and rotenone, both are known to possess anticancer properties2 with the aid of computational techniques such as docking and QSAR calculations and testing their inhibitory activity against the cell lines MCF- 7 and A549. Preliminary results showed that the oxime and hydroxylamine derivatives showed enhanced activity against lung and breast cancer.
Research Objectives a. Hiring of research staff for the project; b. Acquisition of materials (equipment, chemical reagents, solvents etc.), instrument calibration and training of research staff; c. Conduct in silico prediction, docking studies, and QSAR (c/o Dr. Nellas); d. Further modification of deguelin and rotenone; e. Purification and full characterization of the synthesized compounds (1H and 13C NMR, FT-IR and HRMS); f. Evaluation of anticancer ;and cytotoxicity (send samples for assays to Dr. Rey Garcia and Dr. Jacinto); and g. Test the active compound/s in a series of ADME-Tox assays (c/o of Dr. Garcia)
Research Beneficiary(ies) a. Biotechnology, pharmaceutical companies, and other private investors who will commercialize the products after the technology transfer b. Scientists/researchers who will contribute to use the infrastructures and validated protocols c. Possible standards for herbal industries
Research Accoplishments [CY 2019] 1) 1-2 ISI publication on the identification of potential anticancer drug/s; 2) Patent on the identification of potential anticancer drug/s; 3) Identification of denguelin and rotenone derivatives with low toxicity but higher anticancer activity ready for pre-clinical and clinical trials and licensing; 4) Training of undergraduate and graduate students majoring in chemistry, biology, or related fields; 5) Set up of Organic Synthesis laboratory for research and services at the Institute of Chemistry.
Total Research Cost ₱3,185,142.80
Research Agencies Funding:


Research Budget Breakdown Year:
Year Funded:
Total Cost
Date Released
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Code DG CY2020 8132 2
KRA Code
Priority Thrust DOST

Sector Natural Sciences
Actual Sector Chemistry
Related sectors Medical Science
Entry revision: February 2021