MEDICINAL CHEMIST · POSTDOCTORAL FELLOW · HARVARD MEDICAL SCHOOL
SHIRIN SHABAHANG, PhD
PhD in Chemistry · CNS Drug Discovery · Small Molecule Design
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About
Chemist by training, biologist by necessity
My work sits at the intersection of synthesis and target biology. At Harvard, I design CNS-penetrant small molecules guided by structure-based principles and DMPK data: TSPO ligands for neuroinflammation and TAAR1 agonists for CNS disorders, advancing analogs through complete characterization to biological screening. Synthetic tractability and brain penetration get factored in at the design stage, not as afterthoughts once the chemistry is done.
Before that, five years in the Cuny Lab at University of Houston produced two patents, the first small-molecule activators of MLKL pseudokinase, and RIPK2 inhibitors that cut disease severity by 60% in preclinical multiple sclerosis models. I also collaborated with Tufts to solve the first crystal structure of human MLKL bound to its activator. The MLKL PROTAC work taught me a lot about where synthetic efficiency actually matters in a program.
I think good medicinal chemistry requires genuine curiosity about the biology. Potency numbers alone do not tell you much. Off-target selectivity, metabolic stability, cell permeability: these all have to be tracked from the start of a campaign, and they inform the next round of synthesis. That back-and-forth between the bench and the data is what makes the work interesting.
Education
Solution Architect
EXPLORE MY EXPERIENCE
From Molecules to Medicines: Dive into my journey as where I synthesized novel compounds for cancer therapy and developed RIPK2 inhibitors to alleviate Multiple Sclerosis symptoms.
Trace my academic and research work where I not only developed critical chemical syntheses but also engaged in enriching teaching and community service roles.
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Research Fellow in Neurology - Institution: Brigham and Women's Hospita
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Graduate Researcher-Organic Chemist/Medicinal Chemist
Sep 2018 - Dec 2023 · 5 yrs 4 months
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Undergraduate Researcher
Mar 2016 - May 2018 · 2 yrs 3 months
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Research Assistant
Jun 2017 - Dec 2017 · 7 months
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Research Assistant
Jan 2017 - Jun 2017 · 6 months
Recommendations
Licenses & certifications
Schrödinger
High-Throughput Virtual Screening for Hit Finding and Evaluation
Schrödinger
Introduction to Molecular Modeling in Drug Discovery
Harvard Medical School
Research Trainee in the Devision of Engineering in Medicine
Department of VA
National Veteran Caregiver Certificate
A Reflection of Dedication
Honors & awards
Celebrating a Career Marked by High Distinction and Esteemed Scholarships in the Fields of Biochemistry and Chemistry.
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Associated with University of Massachusetts Boston - Jan 2018
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ACS Award - May 2017
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Issued by the Chemistry Department
Associated with University of Massachusetts Boston
Apr 2017
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Delegation on Medicine & Science
Jan 2017
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Issued by Sanofi an Genzyme
Jan 2016
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Jan 2016
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Jan 2015
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Apr 2014
A Deeper Look into My Publications and Presentations
PUBLICATIONS
Shabahang, S.; Li, L.; Hu, M.; Degterev, A.; Cuny, D. G. “Expanding the SAR Analysis of 3,5-Diphenyl- 2-Aminopyridines as Receptor-Interacting Protein Kinase 2 and Nucleotide-Binding Oligomerization Domain Cell Signaling Inhibitors.” (In preparation)
Shabahang, S.; Lakshmi Duddupudi, A.; Lee, S.; Balachandran, S.; Degterev, A.; Cuny, D. G. “Design and Synthesis of Novel Activators of Mixed Lineage Kinase Domain-Like (MLKL) Pseudokinase: A New Approach to Induce Necroptosis in Cancer Therapy.” (Patent application submitted)
Suebsuwong, C.; Shabahang, S.; Lakshmi Duddupudi, A.; Degterev, A.; Cuny, G. “Receptor- Interacting Protein Kinase 2 (RIPK2) and Nucleotide-Binding Oligomerization Domain (NOD) Cell Signaling Inhibitors.” (In preparation)
Draz, M. S.; Moazeni, M.; Venkataramani, M.; Lakshminarayanan, H.; Saygili, E.; Lakshminaraasimulu, N. K.; Kochehbyoki, K. M.; Kanakasabapathy, M. K.; Shabahang, S.; Vasan, A.; Bijarchi, M. A.; Memic, A.; Shafiee, H. “Hybrid Paper–Plastic Microchip for Flexible and High-Performance Point-of-Care Diagnostics.” Adv. Funct. Mater. 2018, 28 (26), 1707161. (DOI: 10.1002/adfm.201707161)
SELECTED PRESENTATIONS
“Advancing Cancer Therapy: Collaborative Development of MLKL Modulators to Target Necroptosis.” Gulf Coast Consortia - Schrödinger Research Event, Houston, TX, 2024 (Oral presentation)
“Expanded SAR Analysis of 3,5-Diphenyl-2-Aminopyridines as Receptor Interacting Protein Kinase 2 and Nucleotide Oligomerization Domain Cell Signaling Inhibitor.” Gordon Research Seminar/Conference (GRS/GRC), New London, NH, 2023 (Poster)
“Expanded SAR Analysis of 3,5-Diphenyl-2-Aminopyridines as Receptor Interacting Protein Kinase 2 and Nucleotide Oligomerization Domain Cell Signaling Inhibitor.” ACS Meeting, San Francisco, CA, 2023 (Poster)
“Developing Activators for Mixed Lineage Kinase Domain-Like (MLKL) as Terminal Effector of Necroptosis.” MALTO Conference, Houston, TX, 2023 (Oral presentation)
Contact Me
Seeking a Scientist- Medicinal Chemist/Organic Chemist role to leverage my expertise and passion for groundbreaking drug discovery and contributing to the future of medicine.