Summary
Overview
Work History
Education
Skills
Accomplishments
SELECTED PUBLICATIONS
PATENT
SELECTED PRESENTATION
CAREER AND PROFESSIONAL DEVELOPMENT
INTERESTS AND HOBBIES
NEWS
LINKEDIN
Google Scholar Public Profile Link
ORCID ID
Timeline
Work Preference
BusinessDevelopmentManager
DEEPAK GURBANI

DEEPAK GURBANI

SENIOR SCIENTIST
San Ramon,CA

Summary

  • Enthusiastic structure-based drug design scientist with 10+ years of experience advancing fragment-based lead discovery (FBLD) and structure-based drug design (SBDD) programs in oncology, immuno-oncology, and neurological diseases. Proven success in driving small molecule discovery from fragment triage to lead optimization, collaborating with interdisciplinary teams (HTS, medicinal chemistry, CADD, biophysics). Skilled in X-ray crystallography, cryo-EM, fragment screening (SPR, NMR, HTS, DEL), computational modeling, pharmacophore analysis, fragment merging/linking, and molecular dynamics. Adept at rapidly identifying key structural elements and interpreting SAR to accelerate project goals. Strong record of innovation with 26+ publications and a patent (Src kinase inhibitor, WO-2020257385-A1).

Overview

19
19
years of professional experience
10
10
years of post-secondary education

Work History

Senior Scientist

Exelixis
11.2023 - Current

• Maintained protein crystallization facility infrastructure, screened crystallization conditions, and optimized hits for diffraction-quality crystal preparation; accessed multiple synchrotrons (NSLS, CLS, SSRL, ANSTO-MX, ESRF, ALS), collaborated with CROs for data collection, and performed structure solving and refinement.
• Prepared cryo-EM grids and coordinated shipping to NanoImaging Services for data collection; solved structures using Phenix, Chimera software using global and locally refined maps.
• Delivered 30+ X-ray and 28+ cryo-EM structures of oncology targets bound to natural ligands and inhibitors, elucidating key interactions and generating actionable design insights documented in comprehensive reports.
• Applied structure-based drug design (SBDD) and computational approaches (CADD) to guide strategic decision-making, accelerate hit-to-lead optimization, and achieve target potency and selectivity.
• Routinely participate in hit-finding initiatives with internal lead discovery teams (assay developments) and external CROs (AS-MS, covalent fragment libraries).
• Executed biophysical assays (nanoDSF) to assess protein thermal stability with ligands (Tm measurements), identifying stabilizers and aggregators to triage false positives and advance tool molecules and potential molecular glue candidates.
• Served as designated key personnel for laboratory safety and regulatory compliance, ensuring inspections to ensure zero violations.

Senior Scientist

Abbvie Inc.
North Chicago, IL
09.2020 - 10.2023

• Delivered 130+ target protein–inhibitor X-ray structures, revealing key interactions and actionable design insights, documented in comprehensive reports.
• Supported structure-based drug design (SBDD) efforts across four projects in oncology, immuno-oncology, and neurological disorders, contributing to successful project progression to candidate selection.
• Designed functional surrogates for challenging proteins, enabling crystallization, structure determination, and advancement of SBDD/FBDD strategies.
• Conducted modeling studies to predict off-target interactions, leveraging cheminformatics to guide design of selective, potent molecules.
• Established a crystal-soak displacement workflow for high-throughput delivery of X-ray structures from HTS, DEL, and NMR fragment hits, facilitating rational design of selective and proprietary inhibitors by medicinal chemistry teams.
• Supported the protein sciences team by providing schematic protocols for the purification of difficult proteins, improving reproducibility and efficiency.
• Successfully mentored team members on crystallization strategies, achieving superior diffraction results and knowledge transfer across the team.

Instructor

UT Southwestern Medical Center
Dallas, TX
02.2019 - 08.2020

• Executed cloning, expression, purification, and X-ray structure determination of JNK2 kinase–inhibitor complexes (PDB: 7N8T, 8ELC).
• Mentored junior staff in gene cloning, protein purification, crystallization, and structure determination, fostering skill development and team capability.
• Authored intramural and extramural grant proposals, successfully contributing to laboratory funding and resource acquisition.

Post Doctoral Researcher

UT Southwestern Medical Center
Dallas, TX
12.2012 - 01.2019

• Solved crystal structures of human KRAS GTPase bound to GDP, SML-8-73-1 inhibitor, and mutant forms [PDB IDs: 4LDJ, 4NMM, 4OBE, 4WA7, 4TQ9, 4QL3], providing insights into inhibitor binding and conformational dynamics.
• Conducted cloning, expression, purification, and characterization of TAK1 kinase inhibitors, including reversible (NG25, Takinib) and irreversible covalent compounds (SM1-71), using biophysical, biochemical, and cellular assays; pioneered meta-substituted pyrrolopyrimidine covalent TAK1 inhibitors [PDB IDs: 5V5N, 4O91, 5J9L, 5J8I, 5J7S, 5JH6, 5E7R, 5JK3].
• Designed and validated a selective irreversible Src kinase inhibitor (DGY-06-116), with structural validation [PDB IDs: 6ATE, 6E6E] and patent protection (U.S. Patent Application WO-2020257385-A1).
• Solved Glutathione S-transferase structure [PDB ID: 5J41], contributing to functional and structural insights for enzymatic studies.

Doctoral Research Fellow

CSIR-Indian Institute of Toxicology Research
Lucknow, Uttar Pradesh, India
02.2007 - 02.2012

• Analyzed polycyclic aromatic hydrocarbons (PAHs) in urban ambient air, coal tar combustion emissions, and diesel exhaust particles, assessing their genotoxic potential in human lung cells (A549 and BEAS-2B).
• Purified the ATPase domain of human topoisomerase-IIα and conducted biochemical inhibition studies with environmentally relevant quinone pollutants; quantified quinone-stabilized topoisomerase-IIα–DNA complexes using agarose-trapped DNA assays.
• Measured γ-H2AX levels in human lung cells as a marker of DNA double-strand breaks induced by quinone-mediated topoisomerase-IIα inhibition, linking environmental pollutants to cellular genotoxicity.

Education

Ph.D. - BIOTECHNOLOGY

JAMIA HAMDARD UNIVERSITY
NEW DELHI, INDIA
2007 - 2012

Master of Science - BOTANY

CSJM KANPUR UNIVERSITY
KANPUR, UTTAR PRADESH, INDIA
1999 - 2001

Bachelor of Science - ZOOLOGY, BOTANY, CHEMISTRY

CSJM KANPUR UNIVERSITY
KANPUR, UTTAR PRADESH, INDIA
1996 - 1999

Skills

Crystallization and data collection: Co-crystallization methods, Crystal screening and freezing Laboratory automation and Robotics (Phoenix drop setter, Gryphon, Mosquito, Formulator, Rock Imager) Data collection (in-house and synchrotron beam lines), (XtaLAB MM003 XRD system, SAD/MAD experiments) Data processing (XDS, HKL2000, HKL3000, autoPROC)

Structure determination: Software suites-Global Phasing Buster, GRADE, Rhofit, CCP4, Coot, Phenix

Structure-based Drug Design (SBDD): XtalLead; Cheminformatics tools (Canvas, TIBCO Spotfire, ChemAxon, Virtual Screening, Chemical database mining, Spark library enumeration, QSAR, Chemical clustering of HTS, NMR hits

Modelling and visualization tools: (AlphaFold; Schrodinger Maestro suite: Pymol, Glide, SIFT, MD simulations; seeSAR, ChimeraX)

Gene editing and construct design: BLAST, Vector NTI, SnapGene, NCBI database, Uniprot, PCR, Cloning (Gibson, Ligation independent and Gateway)

Protein expression and purification: E coli, baculovirus-insect and mammalian cell expression, Purification using AKTA and Bio-RAD systems

Biochemical assays: SDS-PAGE; Western blot; mobility shift microfluidic assay, FRET assay, LanthaScreen assay, Kinetic parameters (kcat, Km; kinact, Ki)

Biophysical Assays: ITC; SPR; DSF

Cellular assays: Trapped in agarose DNA immunostaining (TARDIS) assay; The CellTiter-Glo Luminescent Cell Viability Assay (CTG)

Successful Academic Collaborations: Dana-Farber Cancer Institute, UT Southwestern Medical Center, Duke University

Accomplishments

  • Postdoctoral Training Certificates (2014, 2016, 2018) from UT-Southwestern Medical Center, Dallas, TX.
  • Certificate for ‘Coursework in Clinical Pharmacology and Drug Development (2017)’, UT-Southwestern Medical Center, Dallas, TX.
  • Research Awards from Council of Scientific and Industrial Research (CSIR) Senior Research Fellowship (SRF) 2009, CSIR-Junior Research Fellowship (JRF) 2006, Indian Council of Medical Research - JRF 2003, CSIR-Lectureship 2002.

SELECTED PUBLICATIONS

· Gurbani D, Du G, et al. Structure and Characterization of a Covalent Inhibitor of Src Kinase. Front. Mol. Biosci. May 2020, Volume 7, Article 81 | doi: 10.3389/fmolb.2020.00081

Designed a selective covalent Src kinase inhibitor [U.S. Patent Application WO-2020257385-A1] and determined its X-ray crystal structure.

· Du G, Rao S, Gurbani D*, et al. Structure-Based Design of a Potent and Selective Covalent Inhibitor for SRC Kinase That Targets a P-Loop Cysteine. J Med Chem. 2020 Jan 30. doi: 10.1021/acs.jmedchem.9b01502. *Equal Contribution.

Performed cloning, expression, purification, crystallization, and X-ray structure determination of Src kinase, alongside biophysical and biochemical characterization of covalent inhibitors.

· Totzke J., Gurbani D.*, et al. Takinib, an exquisitely selective inhibitor of TAK1, targets pro survival TNFα-dependent signaling, inducing apoptosis in rheumatoid arthritis and breast cancer models. Cell Chemical Biology 24 (2017), 1029–1039. *Equal Contribution.

Solved the X-ray crystal structure of Takinib bound to TAK1 kinase and elucidated the structure–activity relationship (SAR) of Takinib analogs.

· Hunter J. C., Gurbani D.,et al. In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C, Proc Natl Acad Sci U S A, 111 (2014) 8895-8900. PMID: 24889603.

Crystallized and determined the X-ray structure of the covalent KRAS^G12C inhibitor SML-8-73-1.

· Tan L., Nomanbhoy T., Gurbani D., et al. Discovery of type II inhibitors of TGFbeta-activated kinase 1 (TAK1) and mitogen-activated protein kinase kinase kinase kinase 2 (MAP4K2), J Med Chem, 58 (2015) 183-196. PMID: 25075558.

Performed cloning, expression, purification, and crystallization of TAK1 kinase and determined multiple X-ray structures of inhibitor-bound complexes, supporting pharmacophore validation and rational design of Type II inhibitors.

Complete list (26+):

https://www.ncbi.nlm.nih.gov/myncbi/deepak.gurbani.1/bibliography/public

PATENT

  • Applicant and inventor on ‘Small Molecule Inhibitors of Src Tyrosine Kinase [Application WO- 2020257385-A1 at https://app.dimensions.ai/details/patent/WO-2020257385-A1]

SELECTED PRESENTATION

Delivered Invited Talk on 'Takinib as selective inhibitor of TAK1 kinase' at Cancer Center Biology Retreat on Friday, September 1, 2017, at Harold C. Simmons Comprehensive Cancer Center, UT Southwestern Medical Center.

CAREER AND PROFESSIONAL DEVELOPMENT

  • Review Editor (for over 10+ articles) in peer reviewed journals: Frontiers in Molecular Diagnostics; Frontiers in Physiology.
  • Reviewer for Annals of Oncology (Oxford University Press); Mutagenesis, Oxford Journals, UK; Cancer, American Cancer Society, BMC Molecular Cancer; BMC Research Notes; BMC Breast Cancer (BioMed Central); Frontiers in Pharmacology.
  • Associate Member of American Association for Cancer Research 2015-Present

INTERESTS AND HOBBIES

Protein engineering, Crystallography, Structure based drug design, Assay development, Table Tennis, Badminton, Cooking

NEWS

  • https://www.utsouthwestern.edu/newsroom/articles/year-2015/mutated-cancer-gene.html
  • https://www.sciencedaily.com/releases/2014/07/140728153644.htm?
  • https://www.sciencedaily.com/releases/2017/08/170817131116.htm
  • https://www.labmanager.com/news/researchers-uncover-mechanism-for-cancer-killing-properties-of-pepper-plant-8265

LINKEDIN

https://www.linkedin.com/in/deepak-gurbani-ph-d-53154634

Google Scholar Public Profile Link

https://scholar.google.com/citations?user=W7Px5isAAAAJ&hl=en&oi=ao

ORCID ID

orcid.org/0000-0002-0982-7173

Timeline

Senior Scientist

Exelixis
11.2023 - Current

Senior Scientist

Abbvie Inc.
09.2020 - 10.2023

Instructor

UT Southwestern Medical Center
02.2019 - 08.2020

Post Doctoral Researcher

UT Southwestern Medical Center
12.2012 - 01.2019

Ph.D. - BIOTECHNOLOGY

JAMIA HAMDARD UNIVERSITY
2007 - 2012

Doctoral Research Fellow

CSIR-Indian Institute of Toxicology Research
02.2007 - 02.2012

Master of Science - BOTANY

CSJM KANPUR UNIVERSITY
1999 - 2001

Bachelor of Science - ZOOLOGY, BOTANY, CHEMISTRY

CSJM KANPUR UNIVERSITY
1996 - 1999

Work Preference

Work Type

Full Time

Location Preference

On-SiteRemoteHybrid

Important To Me

Career advancementWork-life balancePersonal development programsHealthcare benefitsPaid sick leaveCompany CulturePaid time offTeam Building / Company RetreatsStock Options / Equity / Profit Sharing
DEEPAK GURBANISENIOR SCIENTIST