Research & Technology
Research & Technology
Research & Technology
at a Glance
- Discovery Biology
- Translational Research
- Research Infra Center
- Technology & Infrastructure
Research & Technology
The Medicinal Chemistry team focuses on the optimization of compounds which are identified as effective against target diseases through primary screening. The optimization process is a multidisciplinary task to improve a compound's potential for development into a new drug through optimization of its biological activity, selectivity, physicochemical properties, in vivo properties, and safety. Within the context of cell-based assays, optimization to create drug candidates is accelerated by eliminating unsatisfactory compounds that are found to have low cell permeability and cytotoxicity during evaluation of biological activity. Additionally, integrating evaluation of in vivo properties and toxicity make our drug discovery process faster and more efficient. Thereby, qualified advanced molecules or preclinical candidates are created through lead optimization and our ample experience and creativity leads to successful research results.
The Medicinal Chemistry team’s area of expertise lies in diseases such as tuberculosis, cancer, hepatitis C, influenza, antibiotics, etc. We received funding for R&D from Korea Drug Development Fund (KDDF) for 18 months (2018-2019) for the "Discovery of novel anti-tubercular agent for the treatment of multidrug-resistant/extensively drug-resistant tuberculosis," and carried out studies to identify and evaluate efficacy and toxicity of anti-tubercular agents. Our endeavor in discovering novel drug candidates continues with strategic integration of synthetic chemistry and chembioinformatics.
Our areas of activity include:
• Advancing and accelerating the optimization on drug discovery program
• Developing novel chemical platform technology for innovative drug discovery (Establishment of PROTAC platform)
• Developing probe molecules for identifying target and understanding the in vivo mechanism of drug candidates
• Developing tool compounds for monitoring drug localization in either the cell or living animal
• Provide open analytical chemistry services, synthesis know-hows and molecular modeling analysis by giving access to IPK’s well-equipped infrastructure to support academia and pharmaceutical companies.
Inhee Choi, R.Ph., Ph.D.
Bora Lee, PhD
Aram Lee, MS
Dami Kim, MS
Eunji Jo, MS
Lianji Cui, MS
Youngmi Kim, MS
Discovery of cyclic sulfonamide derivatives as potent inhibitors of SARS-CoV-2
Bioorg Med Chem Lett (2021) 31:127667 PMID: 33160024, PMCID: PMC7640924
Young Sup Shin, Jun Young Lee, Soojin Noh, Yoonna Kwak, Sangeun Jeon, Sunoh Kwon, Young-Hee Jin, Min Seong Jang, Seungtaek Kim, Jong Hwan Song, Hyoung Rae Kim 1, Chul Min Park
Discovery of 4H-chromeno[2,3-d]pyrimidin-4-one derivatives as senescence inducers and their senescence-associated antiproliferative activities on cancer cells using advanced phenotypic assay
Eur J Med Chem (2021) 209:112550 PMID: 33268144
Sangmi Oh, Ji Young Lee, Inhee Choi, Arnaud Ogier, Do Yoon Kwon, Hangyeol Jeong, Sook Jin Son, Youngmi Kim, Haejin Kwon, Seijin Park, Hwankyu Kang, Kwanghan Kong, Sujin Ahn, Ulf Nehrbass, Myung Jin Kim, Rita Song
Expression of HYOU1 via Reciprocal Crosstalk between NSCLC Cells and HUVECs Control Cancer Progression and Chemoresistance in Tumor Spheroids
Mol Cells (2021) 44(1):50-62 PMID: 33455947, PMCID: PMC7854178
Minji Lee, Yeonhwa Song, Inhee Choi, Su-Yeon Lee, Sanghwa Kim, Se-Hyuk Kim, Jiho Kim, Haeng Ran Seo
Identification of Piperidine-3-carboxamide Derivatives Inducing Senescence-like Phenotype with Antimelanoma Activities.
ACS Med Chem Lett. (2021) 12(4):563-571 PMID: 33859796, PMCID: PMC8040044
Sangmi Oh, Do Yoon Kwon, Inhee Choi, Young Mi Kim, Ji Young Lee, Jiyoung Ryu, Hangyeol Jeong, Myung Jin Kim, Rita Song.
Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs
Antimicrob Agents Chemother. (2020) 64(7):e00819-20 PMCID: PMC7318052
Sangeun Jeon#, Meehyun Ko#, Jihye Lee, Inhee Choi, Soo Young Byun, Soonju Park, David Shum, Seungtaek Kim (# These authors contributed equally).
(Selected as Editor’s Pick) (Selected as Top cited article of AAC in 2022)
Identification of inhibitors of Bcl-2 family protein-protein interaction by combining the BRET screening platform with virtual screening
Biochemical and Biophysical Research Communications (2020) 527(3):709-715 PMID: 32423828
I-Seul Park, Haeng Ran Seo, Kideok Kim, Honggun Lee, David Shum, Inhee Choi*, Jiho Kim*.
Discovery of thienothiazolocarboxamide analogues as novel anti-tubercular agent
Bioorganic & Medicinal Chemistry. (2020) 28(23):115797 PMID: 33075682
Guanghai Jin, Young Mi Kim, Aram Lee, Junghwan Choi, Sunhee Kang, Mooyoung Seo, Jeong Jea Seo, Sumi Lee, Juhee Kang, Jaeseung Kim, Sinyoung Park, Minjeong Woo, Virginia Carla de Almeida Falcao, Honggun Lee, Jinyeong Heo, David Shum, Kaapjoo Park, Vincent Delorme, Inhee Choi.
Strategic Expansion and Management of Chemical Libraries for Drug Discovery
Bulletin of the Korean Chemical Society. (2018) 39(794-800)
Inhee Choi*, Yoonae Ko, Honggun Lee, Kideok Kim, and Constantin Radu.
Oxytetracycline Have the Therapeutic Efficiency in CD133 + HCC Population Through Suppression CD133 Expression by Decreasing of Protein Stability of CD133
Sci Rep. (2018) 8(1) PMID: 30382122, PMCID: PMC6208387
Yeonhwa Song, In-Ki Kim, Inhee Choi, Se-Hyuk Kim, Haeng Ran Seo
Identification of radiation-induced EndMT inhibitors through cell-based phenomic screening
FEBS Open Bio (2018) 9(1): 82-91 PMID: 30652076, PMCID: PMC6325571
Yeonhwa Song, Su-Yeon Lee, A-Ram Kim, Sanghwa Kim, Jinyeong Heo, David Shum, Se-Hyuk Kim, Inhee Choi, Yoon-Jin Lee, Haeng Ran Seo
Synthesis and structure-activity studies of side chain analogues of the anti-tubercular agent, Q203.
Eur J Med Chem. (2017) 125:807-815. PMID: 27750198
Kang S, Kim YM, Kim RY, Seo MJ, No Z, Nam K, Kim S, Kim J.
Synthesis and structure-activity relationships of novel fused ring analogues of Q203 as antitubercular agents
Eur J Med Chem. (2017) 136:420-427 PMID: 28527405
Sunhee Kang, Young Mi Kim, Heekyung Jeon, Sejin Park, Min Jung Seo, Saeyeon Lee, Dongsik Park, Jiyeon Nam, Seokwoo Lee, Kiyean Nam, Sanghee Kim*, Jaeseung Kim*.
Synthesis and biological evaluation of 2-acetamidothiophene-3-carboxamide derivatives against Leishmania donovani.
Medicinal Chemistry Communications (2014) 5:142-6
Oh S, Kwon B, Kong S, Yang G, Lee N, Han D, Goo J, Siqueira-Neto JL, Freitas-Junior LH, Liuzzi M, Lee J, Song R.
Treatment with glucokinase activator, YH-GKA, increases cell proliferation and decreases glucotoxic apoptosis in INS-1 cells.
Eur J Pharm Sci. (2014) 51:137-45. PMID: 24056026
Oh YS, Lee YJ, Park K, Choi HH, Yoo S, Jun HS.
Discovery of 2-iminobenzimidazoles as potent hepatitis C virus inhibitors with a novel mechanism of action.
European Journal of Medicinal Chemistry (2014) 78:35-42. PMID: 24675178
Windisch MP, Jo S, Kim HY, Kim SH, Kim K, Kong S, Jeong H, Ahn S, No Z, Hwang JY.
Pre-S mutations of hepatitis B virus affect genome replication and expression of surface antigens.
J Gastroenterol Hepatol. (2014) 29(4):843-50. PMID: 24783251
Kim BK, Choi SH, Ahn SH, Chung AR, Park YK, Han KH, Kim S, Kim HS, Park JH, Kim KS, Lee HS, Cho YS, Kim KH, Ahn SH.
Lead optimization of a novel series of imidazo[1,2-a]pyridine amides leading to a clinical candidate (Q203) as a multi- and extensively-drug-resistant anti-tuberculosis agent.
Journal of Medicinal Chemistry (2014) 57:5293-305. PMID: 24870926
Kang S, Kim RY, Seo MJ, Lee S, Kim YM, Seo M, Seo JJ, Ko Y, Choi I, Jang J, Nam J, Park S, Kang H, Kim HJ, Kim J, Ahn S, Pethe K, Nam K, No Z, Kim J.
Discovery of carbohybrid-based 2-aminopyrimidine analogues as a new class of rapid-acting antimalarial agents using image-based cytological profiling assay.
Journal of Medicinal Chemistry (2014) 57:7425-34. PMID: 25137549
Lee S, Lim D, Lee E, Lee N, Lee HG, Cechetto J, Liuzzi M, Freitas-Junior LH, Song JS, Bae MA, Oh S, Ayong L, Park SB.
Serendipitous discovery of 2-((phenylsulfonyl)methyl)-thieno[3,2-d]pyrimidine derivatives as novel HIV-1 replication inhibitors.
Bioorganic & Medicinal Chemistry Letters (2014) 24:5473-7 PMID: 25455487
Kim J, Kwon J, Lee D, Jo S, Park DS, Choi J, Park E, Hwang JY, Ko Y, Choi I, Ju MK, Ahn J, Kim J, Han SJ, Kim TH, Cechetto J, Nam J, Ahn S, Sommer P, Liuzzi M, Lee J.
Casein kinase II inhibitor enhances production of infectious genotype 1a hepatitis C virus (H77S).
PLoS One. (2014) 9(12):e113938. PMID: 25464014, PMCID: PMC4252060
Kim S, Jin B, Choi SH, Han KH, Ahn SH.
Synthesis and biological evaluation of triazolothienopyrimidine derivatives as novel HIV-1 replication inhibitors.
Bioorganic & Medicinal Chemistry Letters (2013) 23:153-7. PMID: 23206860
Kim J, Kwon J, Lee D, Jo S, Park DS, Choi J, Park E, Hwang JY, Ko Y, Choi I, Ju MK, Ahn J, Kim J, Han SJ, KimTH, Cechetto J, Nam J, Ahn S, Sommer P, Liuzzi M, No Z, Lee J.
RGD peptide-conjugated multimodal NaGdF4:Yb3+/Er3+ nanophosphors for upconversion luminescence, MR, and PET imaging of tumor angiogenesis.
Journal of Nuclear Medicine (2013) 54:96-103. PMID: 23232276
Lee J, Lee TS, Ryu J, Hong S, Kang M, Im K, Kang JH, Lim SM, Park S, Song R.
In vitro and in vivo imaging of prostate cancer angiogenesis using anti-vascular endothelial growth factor receptor 2 antibody-conjugated quantum dot.
Journal of Nanoscience and Nanotechnology (2013) 14:30-7. PMID: 23323028, PMCID: 3542300
Kwon H, Lee J, Song R, Hwang SI, Lee J, Kim YH, Lee HJ.
Chemosensitization potential of P-glycoprotein inhibitors in malaria parasites.
Experimental Parasitology (2013) 134:235-43. PMID: 23541983
Alcantara LM, Kim J, Moraes CB, Franco CH, Franzoi KD, Lee S, Freitas-Junior LH, Ayong LS.
A new quantum dot-platinum conjugate for self-assembled nanoconjugates by coordination bonding mediated recognition.
Chemical Communications (2013) 49:6182-4. PMID: 23732395
Lee J, Kim H, Sim T, Song R.
Discovery of Q203, a potent clinical candidate for the treatment of tuberculosis
Nature Medicine. (2013) 19:1157-60. PMID: 23913123
Kevin Pethe#*, Pablo Bifani#, Jichan Jang, Sunhee Kang, Seijin Park, Sujin Ahn, Jan Jiricek, Juyoung Jung, Hee Kyoung Jeon, Jonathan Cechetto, Thierry Christophe, Honggun Lee, Marie Kempf, Mary Jackson, Anne J Lenaerts, Ha Pham, Victoria Jones, Min Jung Seo, Young Mi Kim, Mooyoung Seo, Jeong Jea Seo, Dongsik Park, Yoonae Ko, Inhee Choi... Kiyean Nam*, Jaeseung Kim* (# These authors contributed equally).
Identification of a series of 1,3,4-trisubstituted pyrazoles as novel hepatitis C virus entry inhibitors.
Bioorganic & Medicinal Chemistry Letters (2013) 23:6467-73. PMID: 24125883
Hwang JY, Kim HY, Park DS, Choi J, Baek SM, Kim K, Kim S, Seong S, Choi I, Lee HG, Windisch MP, Lee J.
Synthesis and evaluation of hexahydropyrimidines and diamines as novel hepatitis C virus inhibitors.
European Journal of Medicinal Chemistry (2013) 70:315-25. PMID: 24177358
Hwang JY, Kim HY, Jo S, Park E, Choi J, Kong S, Park DS, Heo JM, Lee JS, Ko Y, Choi I, Cechetto J, Kim J, Lee J, No Z, Windisch MP.
Discovery and characterization of a novel 7-aminopyrazolo[1,5-a]pyrimidine analog as a potent hepatitis C virus inhibitor.
Bioorganic & Medicinal Chemistry Letters (2012) 22:7297-301. PMID: 23159569
Hwang JY, Windisch MP, Jo S, Kim K, Kong S, Kim HC, Kim S, Kim H, Lee ME, Kim Y, Choi J, Park DS, Park E, Kwon J, Nam J, Ahn S, Cechetto J, Kim J, Liuzzi M, No Z, Lee J.
Analogous mechanisms of resistance to benzothiazinones and dinitrobenzamides in Mycobacterium smegmatis.
PLOS ONE (2011) 6:e26675. PMID: 22069462, PMCID: 3206020
Ribeiro AL, Degiacomi G, Ewann F, Buroni S, Incandela ML, Chiarelli LR, Mori G, Kim J, Contreras-Dominguez M, Park YS, Han SJ, Brodin P, Valentini G, Rizzi M, Riccardi G, Pasca MR.
Facile Synthesis of Ultrasmall and Hexagonal NaGdF4: Yb3+, Er3+ Nanoparticles with Magnetic and Upconversion Imaging Properties.
Journal of Physical Chemistry C (2010) 114:21077-82
Ryu J, Park HY, Kim K, Kim H, Yoo JH, Kang M, Im K, Grailhe R, Song R.
Compact and versatile nickel-nitrilotriacetate-modified quantum dots for protein imaging and Forster resonance energy transfer based assay.
Langmuir (2010) 26:7327-33. PMID: 20030352
Park HY, Kim K, Hong S, Kim H, Choi Y, Ryu J, Kwon D, Grailhe R, Song R.