TKlab-ChemCU

Drug Discovery and Medicinal Chemistry

Asst. Prof. Dr. Tanatorn Khotavivattana
Center of Excellence in Natural Products Chemistry
Department of Chemistry, Faculty of Science, Chulalongkorn University
tanatorn.k@chula.ac.th

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Our group focuses on the rational design and preparation of natural product and small-molecule drug analogues via semi- and diverted total synthesis for both phenotypic and target-based screening to provide the knowledge in structure-activity relationship for drug discovery, aided by various biological and computational studies provided by our collaborators.

One of our key research areas focuses on the discovery of new anti-cancer and anti-Alzheimer's agents such as the diverted total synthesis of melodorinol, flavone, and benzofuropyridines derivatives, and the semi-synthesis of furocoumarin and metformin derivatives to improve their cytotoxicities against various cancer cell lines, to improve the binding towards key enzyme targets of both diseases.

Moreover, we are interested in drugs for tropical diseases such as anti-viral, anti-parasitic, anti-bacterial and anti-fungal drugs; for example, synthesis of novel fluorinated rhodacyanine analogues for potent anti-leishmanial agents, primaquine drug conjugates for anti-malarial agents, novel alkyl quinolone derivatives for anti-bacterial agents, and the screening of novel flavone derivatives as potential drugs against dengue and Covid-19.

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Design, Synthesis, and Biological Evaluation of Darunavir Analogs as HIV-1 Protease Inhibitors

Design, Synthesis, and Biological Evaluation of Darunavir Analogs as HIV-1 Protease Inhibitors

ACS Bio & Med Chem Au, 2024, 4, 242-256.

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A facile one-pot iodine-mediated synthesis of cannabinol and derivatives, and their intestinal epithelial barrier protective effect

A facile one-pot iodine-mediated synthesis of cannabinol and derivatives, and their intestinal epithelial barrier protective effect

Tetrahedron 2024, 165, 134189

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FMO‑Guided Design of Darunavir Analogs as HIV‑1 Protease Inhibitors

FMO‑Guided Design of Darunavir Analogs as HIV‑1 Protease Inhibitors

Sci. Rep. 2024, 14, 3639

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Machine Learning-Guided Design of Potent Darunavir Analogs Targeting HIV-1 Proteases: A Computational Approach for Antiretroviral Drug Discovery

Machine Learning-Guided Design of Potent Darunavir Analogs Targeting HIV-1 Proteases: A Computational Approach for Antiretroviral Drug Discovery

J. Comput. Chem. 2024, 45, 953-968

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The 8-Bromobaicalein Alleviated Chikungunya-Induced Musculoskeletal Inflammation and Reduced the Viral Load in Healthy Adult Mice

The 8-Bromobaicalein Alleviated Chikungunya-Induced Musculoskeletal Inflammation and Reduced the Viral Load in Healthy Adult Mice

Emerg. Microbes Infect. 2023, 12, 2270074

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Synthesis of Flavones through NaI-Mediated Electrochemical Cyclization of Chalcones

Synthesis of Flavones through NaI-Mediated Electrochemical Cyclization of Chalcones

Eur. J. Org. Chem. 2023, 26, e202300556

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Design, Synthesis, In Vitro, In Silico, and SAR Studies of Flavone Analogs towards Anti-Dengue Activity

Design, Synthesis, In Vitro, In Silico, and SAR Studies of Flavone Analogs towards Anti-Dengue Activity

Sci. Rep. 2022, 12, 21646.

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Novel Psoralen Derivatives as Anti‑Breast Cancer Agents and Their Light‑Activated Cytotoxicity against HER2 Positive Breast Cancer Cells

Novel Psoralen Derivatives as Anti‑Breast Cancer Agents and Their Light‑Activated Cytotoxicity against HER2 Positive Breast Cancer Cells

Sci. Rep. 2022, 12, 13487.

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Assay Development and Identification of the First Plasmodium falciparum 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase Inhibitors

Assay Development and Identification of the First Plasmodium falciparum 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase Inhibitors

Molecules 2022, 27, 3515.

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Alkyne-Tagged Apigenin, a Chemical Tool to Navigate Potential Targets of Flavonoid Anti-Dengue Leads

Alkyne-Tagged Apigenin, a Chemical Tool to Navigate Potential Targets of Flavonoid Anti-Dengue Leads

Molecules 2021, 26, 6967.

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5-Phenoxy Primaquine Analogs and the Tetraoxane Hybrid as Antimalarial Agents

5-Phenoxy Primaquine Analogs and the Tetraoxane Hybrid as Antimalarial Agents

Molecules 2021, 26, 3991.

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Biguanide-Based Synthesis of 1,3,5-Triazine Derivatives with Anticancer Activity and 1,3,5-Triazine Incorporated Calcium Citrate Nanoparticles

Biguanide-Based Synthesis of 1,3,5-Triazine Derivatives with Anticancer Activity and 1,3,5-Triazine Incorporated Calcium Citrate Nanoparticles

Molecules 2021, 26, 1028.

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Synthesis and Antimicrobial Activity of Novel 4-Hydroxy-2-quinolone Analogs

Synthesis and Antimicrobial Activity of Novel 4-Hydroxy-2-quinolone Analogs

Molecules 2020, 25, 3059.

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Bioassay‐Guided Fractionation, Chemical Compositions and Antibacterial Activity of Extracts from Rhizomes of Globba schomburgkii Hook.f.

Bioassay‐Guided Fractionation, Chemical Compositions and Antibacterial Activity of Extracts from Rhizomes of Globba schomburgkii Hook.f.

Chem. Biodivers. 2020, 17, e2000173

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Feeding Cells with a Novel “Trojan” Carrier: Citrate Nanoparticles

Feeding Cells with a Novel “Trojan” Carrier: Citrate Nanoparticles

ACS Omega, 2020, 5, 7418-7423.

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Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The ‘fluorine-walk’ analysis

Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The ‘fluorine-walk’ analysis

Bioorg. Med. Chem. 2020, 28, 115187.

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Bone turnover markers predict type of bone histomorphometry and bone mineral density in Asian chronic hemodialysis patients

Bone turnover markers predict type of bone histomorphometry and bone mineral density in Asian chronic hemodialysis patients

Nephrology 2020, 25, 163-171.

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Volatile Chemical Composition, Antibacterial and Antifungal Activities of Extracts from Different Parts of Globba schomburgkii Hook. f.

Volatile Chemical Composition, Antibacterial and Antifungal Activities of Extracts from Different Parts of Globba schomburgkii Hook. f.

Chem. Biodivers. 2019, 16, e1900057.

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Synthesis of peroxy-functionalized magnetic mesoporous silica for epoxidation of vinyl acetate

Synthesis of peroxy-functionalized magnetic mesoporous silica for epoxidation of vinyl acetate

J. Magn. Magn. Mater. 2019, 475, 579-585.

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Diverted total synthesis of melodorinol analogues and evaluation of their cytotoxicity

Diverted total synthesis of melodorinol analogues and evaluation of their cytotoxicity

Tetrahedron Lett. 2018, 59, 2711-2715.

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Fundamental Fund 66

Thailand Science Research and Innovation (TSRI) “Development of Novel Protease Inhibitors as Drug Candidates against Covid-19 and HIV” Principal Investigator Oct 2022 – Sep 2023

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Asahi Overseas Research Grants 2021

The Asahi Glass Foundation “Development of Novel Furocoumarin Derivatives as Anti-cancer Agents” Principal Investigator Jun 2022 – May 2023

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Research Grant for New Scholar 64

Thailand Science Research and Innovation (TSRI) “Development of Novel Flavone-Based Anti-Dengue Agents” Principal Investigator Jan 2022 – Jan 2024

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Grants for Development of New Faculty Staff Year 2&3

Chulalongkorn University “Synthesis of Fluorinated Rhodacyanine Analogues for Anti-Leishmanial Drug Discovery” Principal Investigator Jun 2019 – Jun 2021

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Ratchadaphiseksomphot Endowment Fund 63

Chulalongkorn University “Synthesis and Encapsulation of Metformin Analogues as Novel Anti-Cancer Agent” Principal Investigator Aug 2020 – Aug 2021

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The 26th Science and Technology Research Grant 2019

Thailand Toray Science Foundation “The discovery of antibacterial agents from Globba Schomburgkii Hook.f. using bioactivity-guided fractionation technique” Principal Investigator Mar 2020 – Feb 2021

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Research Grant for New Scholar 62

The Thailand Research Fund “Synthesis of Fluorinated Rhodacyanine Analogues for Anti-Leishmanial Drug Discovery” Principal Investigator Mar 2019 – Feb 2021

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Ratchadaphiseksomphot Endowment Fund 62

Chulalongkorn University “Chemical Constituents and Antibacterial Activity of Extracts from Globba schomburgkii Hook.f.” Principal Investigator Oct 2018 – Sep 2019

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Chair Professor Grants

NSTDA “From Molecule to Medicines: Rational Basis for Target Discovery and Drug Development to Overcome Drug Resistant Malaria” Co-Investigator May 2018 – May 2023

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Grants for Development of New Faculty Staff Year 1

Chulalongkorn University “Synthesis of Melodorinol Analogues for Enhancement of Bioactivities” Principal Investigator Jun 2017 – Jun 2018

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Dr. Tanatorn Khotavivattana (Plum)

Assistant Professor

Viny Alfiyah (Win)

PhD (1st Year)

Development of novel inhibitors via repurposing therapeutics for chitin synthase and trehalose synthase

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Dini Aulia

Master (2nd Year)

Design, Synthesis, and Biological Activity of 2,3-Dioxopyrrolidines Derivatives as Antidengue Agents

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Akeanan Sroithongmoon (Tle)

Master (1st Year) BSc-MSc (4+1)

Design and synthesis of Lapatinib Derivatives as Inhibitors for the Main Proteases of Severe Acute Respiratory Syndrome 2 (SARS-COV-2)

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Thitirat Narod (Mild)

Master (1st Year)

Development of calcium-based drug delivery system for anti-fungal agents

Choosak Jaroenrit (Hem)

BSc (4th Year) Senior Project

Development of Tropolone Analogs as Tyrosinase Ihibitor

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Muhammad Asad Ur Rehman (Leo)

ex PhD (2024)

Synthesis and Biological Evaluation of Novel Darunavir anti-HIV Drug Derivatives

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Tharuedee Udomthanapaiboon (Lukplub)

ex ISE NANO Senior Project

Development of Tropolone Analogs as Tyrosinase Ihibitor and their drug delivery system

Phuri Poprom (Turbo)

ex ISE NANO Senior Project

Development of Tropolone Analogs as Tyrosinase Ihibitor and their drug delivery systems

Mongkonkorn Thanakorncharoenwit (Fluke)

ex co Master (2024)

Iodine-Mediated Synthesis of Cannabinol

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Gbenga Olorunmodimu (Micheal)

ex Master (2024)

Design and synthesis of novel Colchicine derivatives as inhibitory agents in microtubule formation for cancer application.

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Patcharaporn Supakijjanusorn (Grace)

ex Senior Project (2023)

Synthesis of Benzofuropyridine Derivatives as CDK5 Inhibitors and Anticancer Agents

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Adediji Ayomide Olamide (AY)

ex Master (2023)

Design and synthesis of Lapatinib Derivatives as Inhibitors for the Main Proteases of Severe Acute Respiratory Syndrome 2 (SARS-COV-2)

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Reymark Ereje (Marky)

ex Master (2023)

Synthesis of Benzofuropyridine Derivatives as CDK5 Inhibitors and Anticancer Agents

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Apinya Patigo (Meen)

ex Master (2022)

Synthesis of baicalein derivatives as anti-dengue agents

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Chiphada Akerungruengkit (Mew)

ex Master (2022)

Synthesis of furocoumarin derivatives as anti-cancer agents

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Thamonwan Chokmahasarn (Mile)

ex Senior Project (2021)

Design and synthesis of Alkyne-tagged baicalein to analyse the target protein of the dengue virus

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Somruedee Jansongsaeng (Mai)

ex Master (2021)

Monnaya Chalermnon (Aim)

ex co Master (2021)

Naruemon Suekaew (SomO)

ex Master (2020)

Thitiya Lasing (Joy)

ex Master (2020)

Kittipat Kulkraisri (Gregor)

ex App Chem Project (2020)

Alongkorn Janjamratsaeng (Mek)

ex App Chem Project (2020)

Apirak Kunanopparat (Ryo)

ex Mini Project DPST (2020)

Wishulada Injumpa (GGame)

ex co PhD (2019)

Pitchakorn Jungsanguansit (Fame)

ex co Senior Project (2019)

  • Center of Excellence in Natural Products Chemistry, Department of Chemistry, Faculty of Science, Chulalongkorn University
  • Mahamakut Building, 254 Phayathai Rd, Wang Mai, Pathum Wan, Bangkok 10330, Thailand
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