Medicinal Chemist & Doctoral Researcher

Mithilesh Nagpure

Crafting novel synthetic methodologies at the intersection of ylide chemistry, bioactive scaffold design, and drug discovery — from NIPER Mohali to the world.

Ylide Chemistry Heterocyclic Synthesis Drug Discovery Green Chemistry Scaffold Hopping
15
Publications
2
First Author
2
Patents
🏆
Best Poster
About

Crafting Molecules,
Advancing Medicine

I am a Doctoral Researcher in Medicinal Chemistry at the National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, Mohali, under the guidance of Prof. Sankar K. Guchhait, FRSC. My doctoral research focuses on developing novel synthetic methodologies using ylide chemistry to construct bioactive heterocyclic scaffolds for drug discovery.

My Ph.D. work established multifunctional ylides as versatile masked synthons, enabling highly efficient and selective construction of complex molecular architectures. A key discovery — the dual ambiphilic reactivity of nitrile-stabilized ylides — has significantly broadened the synthetic utility of this reagent class.

Prior to my Ph.D., I completed my M.S. at NIPER Ahmedabad where I contributed to green chemistry research including nickel-catalyzed aqueous-phase synthesis and HDAC inhibitor design — yielding 5 co-authored publications across ACS, Green Chemistry, and Eur. J. Med. Chem.

Ph.D. — Medicinal Chemistry
NIPER S.A.S. Nagar, Mohali, Punjab
2021 – 2026 9.67 CGPA
M.S. (Pharm.) — Medicinal Chemistry
NIPER Ahmedabad, Gujarat
2018 – 2020 8.36 CGPA
B.Pharm.
RGPV Bhopal, Madhya Pradesh
2014 – 2018 7.44 CGPA
Core Research

Research Focus Areas

⚗️

Ylide Chemistry & Novel Synthetic Methodology

Developing new synthetic strategies using sulfoxonium, quaternary ammonium, and nitrile-stabilized ylides for complex molecule construction via (4+1) annulation and cyclopropanation pathways.

🔬

Bioactive Heterocyclic Scaffold Design

Synthesizing diverse heterocyclic frameworks — benzofurans, oxindoles, spirocycles, α-carbolines — as privileged scaffolds with drug-relevant biological profiles.

💊

Medicinal Chemistry & Drug Discovery

Applying scaffold hopping and SAR studies to identify anticancer, CNS, and anti-infective chemotypes. Contributor to major drug discovery reviews in leading journals.

🌿

Green & Sustainable Synthesis

Expertise in microwave-assisted synthesis, aqueous-phase Ni-catalysis, and atom-economical transformations. Co-inventor of a granted patent for green pharmaceutical synthesis.

📐

Ph.D. Thesis: Multifunctional Ylides as Novel Masked Synthons

This doctoral work explores multifunctional ylides as versatile masked synthons for efficient construction of diverse bioactive heterocyclic scaffolds. Established ylide-mediated annulation and cyclization strategies providing streamlined access to benzofurans, 2,3-dihydrobenzofurans, spiro-cyanocyclopropane-oxindoles, and 2-amino-α-carbolines. Discovered that nitrile-stabilized ylides act as dual ambiphiles functioning via both Ar–C–CN and Ar–C–C–NH₂ pathways, significantly expanding synthetic utility for drug-relevant scaffold construction.

Research Output

15 Publications in High-Impact Journals

01
Nitrile-Stabilized Quaternary Ammonium Ylide as an Arylcyanomethylene Transfer Agent: Diastereoselective Synthesis of Spiro-cyanocyclopropyl-2-oxindoles
Mithilesh Nagpure, Sankar K. Guchhait*
European Journal of Organic Chemistry 2024 ★ FIRST AUTHOR DOI ↗
02
A reaction of regioselective spirocyclopropyl C–C cleavage and ketene-imine triggered skeletal rearrangement constructs α-carbolines
Mithilesh Nagpure, Sourabh Chandra, Sankar K. Guchhait*
Organic Letters 2025 ★ FIRST AUTHOR DOI ↗
03
Synthesis of Heterocyclic-Fused Furans and Dihydrofurans via (4+1)-Annulation with Ylide: Exploration of Unique Reactivity of α-Carbonyl Sulfoxonium Ylide
Gulshan Kumar, Mithilesh Nagpure, V.K. Rao, S.K. Guchhait*
Eur. J. Org. Chem.2022DOI ↗
04
Cascade reaction of indolyl-migratory isocyanide insertion, scaffold rearrangement and redox-neutral event with isocyanide as a C(sp³)H–N synthon
S. Sisodiya, A. Acharya, Mithilesh Nagpure, et al., S.K. Guchhait*
Chemical Communications2022DOI ↗
05
[2+2] Cycloaddition–retroelectrocyclization in water: substrate-driven transient-nanoreactor-induced new reactivity
KM Neethu, ..., Mithilesh Nagpure, ..., G. Jayamurugan*
Organic & Biomolecular Chemistry2023DOI ↗
06
Molecular medicinal insights into scaffold hopping-based drug discovery success
A. Acharya, M. Yadav, Mithilesh Nagpure, S.K. Guchhait*
Drug Discovery Today2023DOI ↗
07
Rutaecarpine-inspired scaffold-hopping strategy: identification of novel anticancer chemotypes
M. Yadav, N. Roy, K. Mandal, Mithilesh Nagpure, S.K. Guchhait*
Bioorganic & Medicinal Chemistry2024DOI ↗
08
How to nurture natural products to create new therapeutics? Strategic innovations and molecule-to-medicinal insights
A. Acharya, Mithilesh Nagpure, N. Roy, et al., S.K. Guchhait*
Drug Discovery Today2024DOI ↗
09
Topoisomerase II-targeting anticancer clinical candidates and drugs: critical analysis and research roadmap
A. Acharya, ..., Mithilesh Nagpure, ..., S.K. Guchhait*
Eur. J. Med. Chem.2025DOI ↗
10
Micellar Catalyst Enabled Synthesis of Indolylbenzothiazoles via Mn(II)-Catalyzed C2-H Amination
Sanjeev Kumar, ..., Mithilesh Nagpure, ..., Dinesh Kumar*
Tetrahedron Letters2020DOI ↗
11
Borrowing Carbonate Enabled Allylic Amination under Additive-free Nickel Catalyst: Scale-up Synthesis of Pharmaceuticals
G.N. Vaidya, Mithilesh Nagpure, Dinesh Kumar*
ACS Sustainable Chem. Eng.2021DOI ↗
12
Paradigm Shift of "Classical" to "Hybrid" HDAC Inhibitors in Therapeutic Interventions
G.N. Vaidya, ..., Mithilesh Nagpure, ..., Dinesh Kumar*
Eur. J. Med. Chem.2021DOI ↗
13
Organic Reactions in Aqueous Media Catalysed by Nickel
D.P. Satpute, ..., Mithilesh Nagpure, ..., Dinesh Kumar*
Green Chemistry2021DOI ↗
14
'In-Water' Nickel-Catalyzed Allylic Aminations: All-Water Synthesis of Flunarizine, Cinnarizine & Naftifine
G.N. Vaidya, ..., Mithilesh Nagpure, ..., Dinesh Kumar*
Green Chemistry2021DOI ↗
15
Biosynthetically Natural Product-conserved scaffolds: Harnessing power with molecular-medicinal strategy for new therapeutic development
A. Acharya, V. Gupta, Mithilesh Nagpure, S.K. Guchhait*
Bioorg. Med. Chem. Lett.2026 · Accepted
Intellectual Property

Patents

✓ Granted

Green Process for the Synthesis of Flunarizine

A sustainable, atom-economical nickel-catalyzed aqueous-phase process for pharmaceutical synthesis. Demonstrates industry-ready green chemistry principles with direct scale-up application.

Inventors: Dinesh Kumar, Mithilesh Nagpure, G.N. Vaidya · Grant No. 448254
⊙ Filed

A Novel and Efficient Stereoselective Process for Drug-relevant Spiro-indolylcyanocyclopropylaryls

Diastereoselective ylide-based synthesis of spiro-indolyl compounds with significant pharmaceutical relevance — directly emerging from first-author Ph.D. research.

Inventors: S.K. Guchhait, Mithilesh Nagpure · Application No. 202411013931
Academic Visibility

Conferences & Presentations

2025

Diastereoselective Ylide Chemistry, Regioselective Spirocyclopropyl C–C Cleavage and Rearrangement: A Route to α-Carbolines 🏆 Best Poster

RABMC-2025 Symposium · IIT Ropar, Punjab, India

2025

Diastereoselective Ylide Chemistry, Regioselective Spirocyclopropyl C–C Cleavage and Rearrangement: A Route to α-Carbolines and Drug-Conjugated Motifs

ChemSpirit-2025 International Conference · IIT Hyderabad, India

2022

An Efficient Access to Medicinally-Important Indolylisoindolinones: Cascade Reaction with Isocyanide as C(sp³)H–N Synthon

NIPER-PHARMACON 2022 International Conference · NIPER Mohali, India

2022

Exploration of Unique Reactivity of α-Carbonylsulfoxonium Ylide: Synthesis of Heterocyclic-Fused Furans and Dihydrofurans

CRSI-NSC 2022 Symposium · IISER Mohali, Punjab, India

Capabilities

Technical Skills

⚗️ Synthetic Chemistry

Multi-step synthesisYlide chemistryHeterocyclic synthesisAnnulation strategiesCycloadditionsColumn chromatographyMicrowave synthesisMONOWAVE 200SpirocyclizationGreen chemistry

🔬 Characterization

NMR (Bruker 400 MHz)¹H & ¹³C NMRFTIR spectroscopyMass spectrometryX-ray crystallographyTopSpinMestReNovaMassHunter (Agilent)

💻 Software & Informatics

ChemDraw 20.0SciFinderReaxysMendeleyEndNoteELNMicrosoft Office

✍️ Scientific Communication

15 SCI publicationsPatent draftingConference postersManuscript reviewGrant reports
Contact

Let's Connect

I welcome collaborations, discussions, and opportunities in synthetic chemistry, medicinal chemistry, and drug discovery research from institutions worldwide.

Send a Message
Your message will be sent directly to mithileshn1994@gmail.com
✓ Message sent! Mithilesh will get back to you soon.