Jagadeesh N.

Mavinahalli, PhD
A307, Chartered Madhura, Off Uttarahalli Main Rd.
12th Main, Simhadri Layout, Bengaluru-560061
Mobile: +91 7349491760 Email: mnjaga@gmail.com www.linkedin.com/in/mnjaga

Personal Statement
As a dedicated scientist and line manager in the pharmaceutical industry, with over 20 years
of experience, and a PhD and MBA from reputed institutions, I have a strong track record of
successfully leading teams to achieve project goals. My passion for research, continuous
improvement, and strategic development has allowed me to enhance relationships across
multidisciplinary teams and implement innovative working practices.

Highlights
 Research and Innovation
Postdoctoral research at Max-Planck Institute, Germany, focusing on novel catalyst design for polymer
research.
Postdoctoral fellowship at the University of Michigan, USA, specializing in protein modeling, docking,
and flexibility for drug discovery.
Research experience with global pharmaceutical leaders (Abbvie, Orion Pharma, Grey Wolf
Therapeutics, Mootral) and integrated drug discovery CROs.
Deep understanding of disease targets: diabetes, cancer, obesity, inflammation, and Alzheimer’s.
Experience in Agri business and enzyme engineering for drug manufacturing.
Extensive experience in integrated drug discovery CRO, enzyme engineering, and crop-protection field.

 Remote Work and Resource Management

Successfully established a state-of-the-art computational chemistry facility at home in Bangalore, India.
Managed client projects with quality, efficiency, and productivity.

 Tech-Savvy Collaborator
Tools: Zoom, Teams, Google Meet (for meetings); Box, SharePoint, Egnyte (for file sharing); AWS (for
cloud computing).

 Publication and Patent Contributions

10 publications in international journals.
Inventorship on 12+ published or filed US and world patent applications.
Poster presentation in several international conferences.

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Professional Research Appointments
 Jan 2022 - Present : Senior Scientist, Cresset Discovery, Litlington, UK.

Business development presentations to clients. Proposal writing for clients to win discovery projects.
Executed and delivered projects successfully to clients satisfaction. Helped software development
team by testing beta version of several Cresset tools. Successfully delivered 9 projects of which four
are vHTS projects and rest are lead optimization programs for various drug discovery companies.
Created marketing material and case study for Cresset software tools.

 Jan 2019 - Dec 2021: Senior Scientist, Sygnature Discovery, Nottingham, UK.

Analysis of experimental data on multiple drug discovery projects, providing insight, challenging
methods and improving results. Drove compound synthesis with structure-based design and
statistical models. Conducted training classes to introduce computational chemistry tools for
colleagues. Participated in hiring processes and prepared case study materials for business
development.

 Nov 2016 - Dec 2018: Group leader (Deputy General manager), PI Industries, Udaipur, India.

Member of Chemistry Leadership Team and collaboratively developed strategies to improve

organizational effectiveness and improve delivery. Involved in modeling molecules related to crop
protection. Collaborated closely with multidisciplinary team to actively design molecules of interest.
Utilized DFT for predicting properties of crop molecules.

● Jun 2010 - Sep 2017: Group Leader, Advinus Therapeutics Pvt. Ltd., Pune, India.

Member of many drug discovery project teams, from hit identification to lead optimization,
engaging the different members of the teams to help define project issues and deliver successfully.

● Sep 2008 - May 2010: Research Scientist (Joint appointment with Bioinformatics Institute, A*STAR
and Singapore Eye Research Insititute, Singapore; Mentors: Dr. Chandra Verma & Prof. Roger W.
Beuerman).

● Sep 2007 - Aug 2008: Staff scientist II, Codexis Laboratories Singapore Pte Ltd, Singapore.

● Jan 2004 - Aug 2007: Staff Scientist I, Aurigene Discovery Technologies Ltd., Bangalore, India.

● Jan 2002 - Dec 2003: Post-Doctoral Research Scientist, University of Michigan, Ann Arbor, Michigan,
USA.

● Oct 1999 - Nov 2001: Post-Doctoral Research Scientist, Max-Planck-Institute für Kohlenforschung,
Muelheim an der ruhr, Germany.

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Education
● MBA (E), SIMS, Symbiosis International University, Pune, India, 2017.
● Ph.D. Indian Institute of Science, Bangalore, India, 2000.
o Thesis: Theoretical Studies of Electronic Effects on Structure and Reactivity of Highly
Unsaturated Organic Systems.
o Thesis Advisor: Prof. J. Chandrasekhar.
● M.Sc.Chemistry (1st year: Physical, Inorganic, Organic and Biochemistry and 2nd year: Organic
chemistry), Bangalore University, Bangalore, India, 1994.
● B.Sc. Chemistry, Physics, & Mathematics, Arts & Science College, Bangalore University, Tumkur,
India, 1992.
● Pre-University: Physics, Chemistry, Mathematics and Biology, Karnataka Pre-University Board,
Tumkur, India, 1989.

Selected Publications
 Jagadeesh Mavinahalli, et al., Discovery and evaluation of 1H-pyrrolo[2,3-b]pyridine based
selective and reversible small molecule BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorganic and Medicinal Chemistry Letters, 2017, 27, 1867-1873.
 Jagadeesh Mavinahalli, Madhumallar Arumugam, David Lane, and Chandra Verma: Differences
in the transactivation domains of p53 family members: A computational study. BMC-Genomics,
2010, 11, Suppl 1:S5. (PMID:20158876).
 Jagadeesh Mavinahalli, W. Thiel, J. Koehler and A. Fehn: Hydrosilylation with bis(alkynyl)(1,5-
cyclooctadiene)platinum catalysts: A density functional study of the initial activation.
Organometallics, 2002, 21, 2076-2087.
 Jagadeesh Mavinahalli, A. Makur and J. Chandrasekhar: The interplay of angle strain and
aromaticity: Molecular and electronic structures of [0(n)]paracyclophanes. J. Mol. Model., 2000, 6,
226-233.
 Jagadeesh Mavinahalli, and J. Chandrasekhar: Computational studies on C36 and its dimmer.
Chem. Phys. Lett., 1999, 305, 298-302.
 D. Ramkumar, M. Kalpana, B. Varghese, S. Sankararaman, Jagadeesh Mavinahalli, and J.
Chandrasekhar: Cyclization of enediyne radical cations through chemical, photochemical, and
electrochemical oxidation: The role of state symmetry. J. Org. Chem., 1996, 61, 2247-2250.

Professional Skills
Managerial Skills:

 To improve my management and leadership skills I also pursued and successfully completed MBA
(E) with SIMS, PUNE.
 Line manager: Developed scientific contribution of team members by coaching and mentoring.
 Successfully helped the business development team in conceiving, developing and launching a novel
structure based drug discovery service package in coordination with a multidisciplinary team of
scientists in Aurigene, Bangalore.
 Successfully completed “High performance Leadership workshop”, Udaipur, 2017.
 Successfully set up state-of-the-art CADD, R & D infrastructure (with hardware 3D visualization
capability) in Aurigene, Bangalore, Advinus, Pune, SERI-Singapore and PI Industries, Udaipur.
 Actively involved in hiring co-researchers and all the job assignments.

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  People Development: Trained several junior scientists to acquaint themselves with the
corporate/institute ecosystem. Also introduced molecular modelling at organization level by
proactively conducting several lectures for multidisciplinary teams.

Technical Skills:

 Hands on experience with: Library design based on structure, utilizing DFT, QM, Semiempirical and
Molecular Modelling techniques.
 Experienced in utilizing ab initio DFT techniques for designing molecules of desired properties.
 Virtual screening (both ligand and macromolecular structure based), Docking, Homology modeling,
structure and ligand based pharmacophore modeling, QSAR, Conformational analysis, clustering,
diversity analysis, De-Novo ligand design & sequence analysis.
 Enzyme Engineering (LIMS (Harvester), Odipus, ProSAR, BioEdit, AlignX).
 Electronic structure calculation, locating transition states for reactions, mechanistic study of organic
and organometallic reactions, NMR, UV, IR, Raman spectroscopic parameter calculations.
 Molecular mechanics, Molecular Dynamics & Monte Carlo simulations, Semi-empirical, ab initio,
DFT, and free energy calculation.

Software Skills:

 Power user of various modelling, ab initio, QM, DFT and simulation packages like Gaussian, Spartan,
GAMESS, MOE, ICM-Pro, Schrödinger Suite of programs, Cresset Suite, PyMol and working
knowledge of software suites like Open Eye suite, GOLD, Sybyl, VMD, AMBER, and GROMACS.
 Actively learning and applying AI and ML tools and techniques to drug discovery projects.
 While the above list of software is not complete, I am aware that continuous upgradation of skills is
very important for a theoretical scientist to be effective. I am open to new applications, and
constantly in exploring mode for new utilities and have the knack to master and tweak any new
software to efficiently carry out the task at hand.

Honors and Recognition

● CEO Award: In recognition of speedy delivery of quality product by our team for the Takeda Drug
Discovery Project. Advinus Therapeutics, Pune, May 2016.
● CEO Award: In recognition of the outstanding excellence of 2 teams for achieving the Takeda
milestone with exemplary timeline and innovation. Advinus Therapeutics, Pune, Dec 2013.
● Senior research fellowship, Indian Institute of Science, Bangalore, India, 1996-1999.
● Junior research fellowship, Indian Institute of Science, Bangalore, India, 1994-1996.
● 12th Rank in All India Entrance examination for admission to IISc., PhD program, 1994.
● 3rd Rank in the entrance examination for admission to MSc, Bangalore University, 1992.

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