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Dr. Hao Fan
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| Research interests |
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Developing computational techniques to study the interactions between biomolecules and ligands.
Understanding structure-function-dynamics of GPCRs, transporters, and kinases.
Structure-guided ligand discovery and optimization for therapeutic targets.
Computational enzyme function annotation and engineering.
In silico chemical toxicity prediction. |
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| Biography |
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| Dr. Hao Fan is Senior Principal Investigator of the Structure-based Ligand Discovery and Design Group at the Bioinformatics Institute in Agency for Science, Technology and Research; adjunct associate professor at Synthetic Biology Translational Research Program, School of Medicine, NUS; and adjunct associate professor at Cancer and Stem Cell Biology Program in DUKE-NUS Medical School. Prior to joining Singapore, he worked as a postdoctoral fellow followed by a research scientist in both Dr. Andrej Sali's lab and Dr. Brian Shoichet's lab at University of California, San Francisco. He obtained his Ph.D in Biophysical Chemistry in Dr. Alan Mark's lab at University of Groningen. He received his undergraduate degree in Biological Sciences in University of Science and Technology of China. |
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| Research positions |
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| Prospective students with Bachelor or Master degree from all foreign countries are welcome to apply to the AGS PhD program, and the SINGA PhD program. |
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Selected
Publications (full list)
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- Lim KJH, Hartono YD, Xue B, Go MK, Fan H*, Yew WS* “Structure-Guided Engineering of Prenyltransferase NphB for High-Yield and Regioselective Cannabinoid Production ” ACS Catalysis 2022.
Link
- Liu H, Deepak RNVK, Shiriaeva A, Gati C, Batyuk A, Hu H, Weierstall U, Liu W, Wang L, Cherezov V*, Fan H*, Zhang C* “Molecular basis for lipid recognition by the prostaglandin D2 receptor CRTH2 ” PNAS 2021.
Pubmed
- Yap J, Deepak RNVK, Tian Z, Ng WH, Goh KC, Foo A, Tee ZH, Mohanam MP, Sim YR, Degirmenci U, Lam P, Chen ZZ, Fan H*, Hu J* “The Stability of R-spine Defines RAF Inhibitor Resistance: A Comprehensive Analysis of Oncogenic BRAF Mutants with In-frame Insertion of αC-β4 loop ” Science Advances 2021.
Pubmed
- Low JL, Du W, Gocha T, Oguz G, Zhang X, Chen MW, Masirevic S, Yim GR, Tan IB, Ramasamy A, Fan H*, Dasgupta R* “Molecular docking-aided identification of small molecule inhibitors targeting β-catenin-TCF4 interaction ” iScience 2021.
Pubmed
- Goh JJN, Behn J, Chong CS, Zhong G, Maurer-Stroh S, Fan H*, Loo LH* “Structure-based virtual screening of CYP1A1 inhibitors: towards rapid tier-one assessment of potential developmental toxicants ” Arch Toxicol 2021.
Pubmed
- Jaladanki CK, He Y, Zhao LN, Maurer-Stroh S, Loo LH, Song HW*, Fan H* “Virtual screening of potentially endocrine-disrupting chemicals against nuclear receptors and its application to identify PPARgamma-bound fatty acids ” Arch Toxicol 2020.
Pubmed
- Dumitru AC, Deepak RNVK, Liu H, Koehler M, Zhang C*, Fan H*, Alsteens D* “Submolecular probing of the complement C5a receptor–ligand binding reveals a cooperative two-site binding mechanism” Commun. Biol. 2020.
Pubmed
- Xiao QP, Wang L, Supekar S, She T, Liu H, Ye F, Huang JZ, Fan H*, Wei ZY*, Zhang C* “Structure of human steroid 5α-reductase 2 with the anti-androgen drug finasteride” Nat. Commun 2020.
Pubmed
- Theappeta KRV, Zhao LN, Nge CE, Crasta S, Leong CY, Ng V, Kanagasundaram Y*, Fan H*, Ng SB* “In-silico identified new natural Sortase A inhibitors disrupt S. aureus biofilm formation” Int. J. Mol. Sci. 2020.
Pubmed
- Lin Y, Deepak RNVK, Zheng JZ, Fan H*, Zheng L* “A dual substrate-accessing mechanism of a major facilitator superfamily protein facilitates lysophospholipid flipping across the cell membrane” J. Biol. Chem. 2018.
Pubmed
- Quek DQ, Nguyen LN, Fan H*, Silver DL* “Structural insights into the transport mechanism of the human sodium-dependent lysophosphatidylcholine transporter Mfsd2a” J. Biol. Chem. 2016.
Pubmed
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