air sensitive material handling, DFT, chromatography
Resume:
Arun Dev E P
Padiyoor, Kannur, Kerala, India
********@*****.***
Field of Specialization:
Medicinal Chemistry
Research Experience:
Masters Project: Acquired substantial laboratory experience by synthesizing the drug diltiazem and proficiently using equipment like rotary evaporators, thin-layer chromatography (TLC), and NMR spectroscopy
Supervisor: Prasad V. Bharatam, Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), SAS Nagar – 160062, Punjab, India Summary of Master's research project: (1
st
Aug 2024- 30
th
June 2025):
My Master's research established a novel platform for nitrogen-centered main-group chemistry through the design, synthesis, and quantum chemical analysis of divalent N(I) complexes, termed Nitreones. The critical synthetic pathway involved developing diamido- containing N-heterocyclic imine (NHI) precursors through a highly air-sensitive, one-pot condensation of oxalyl chloride with carbodiimide derivatives and heterocyclic amines - a transformation I executed using Schlenk line techniques to prevent hydrolysis and the formation of 2,4,5-imidazolidinetrione as a key impurity. The subsequent alkylation of these NHIs successfully generated the target neutral divalent N(I) systems. Characterized through NMR and FT-IR. DFT calculations (B3LYP/6-311+G(d,p)) revealed these species are isoelectronic to other well-known divalent species like carbodicarbenes, Boreylones, Silylones, and Germylones and confirmed the superior electrophilicity and π-accepting character of diamido carbene (DAC) ligands. Building upon previous work by Bharatam et al. demonstrating the promise of N(I) complexes as FtsZ inhibitors, my research introduces a fundamentally new and tunable class of N(I) complexes (Nitreones), establishing a foundation for their future exploration in areas ranging from catalysis to antimicrobial drug discovery.
Summary of Bachelors research project (10
th
Dec 2021-16
th
June 2022):
In my Bachelor's research, I spearheaded an integrated computational and experimental project to design novel anti-tubercular agents. This involved computationally designing and screening a library of pyrazinamide derivatives against the Pyrazinamidase enzyme (PDB: 3PL1) in Mycobacterium tuberculosis using Schrödinger Maestro. Molecular docking identified a lead compound, PZD1, which demonstrated a superior docking score of -9.134 kcal/mol compared to the standard drug Pyrazinamide (-6.723 kcal/mol). The binding stability of PZD1 was further validated through 10 ns molecular dynamics simulations, which confirmed its steady presence in the protein's active site. On the experimental front, I successfully synthesized the key 2,3-diphenylquinoxaline intermediate via a multi-step organic synthesis route, applying techniques like recrystallization and confirming purity through TLC. This work established PZD1 as a highly promising lead candidate. 2
Internship:
Drug Testing Laboratory, Ministry of Health & Family Welfare, Government of Kerala Intern -Analytical Sciences (Certificate No: DLT/TSR/CER/026) (10 th
March 2021- 9
th
April 2021)
o Performed titrimetric assay and % purity evaluation of Paracetamol + Mefenamic Acid tablets, comparing results against pharmacopeial standards. o Gained hands-on exposure to Good Laboratory Practices (GLP) and Standard Operating Procedures (SOPs), with emphasis on data integrity, documentation accuracy, and regulatory compliance.
o Acquired practical training in classical and instrumental techniques including TLC, UV, FTIR, Melting Point, Content uniformity, hardness testing, dissolution, and disintegration studies.
Academics:
Masters in Medicinal Chemistry: Medicinal Chemistry, National Institute of Pharmaceutical Education and Research NIPER, SAS Sector 67, Mohali – 160062, Punjab, India. (2023- 2025).
Specialization: Medicinal Chemistry
Grade: 9.60/CGPA
Bachelor in Pharmaceutical Sciences: Pharmaceutical Sciences, Kerala University of Health and Allied Sciences, Kuhs, Kannur – 670502 Kerala, India. (2017- 2022). Grade: 7.87/CGPA
Conference proceedings:
International conference cum workshop on Artificial Intelligence Solutions for Pharmaceutical Research and Knowledge: participated in the conference on October 9- 11,2023, conducted by the Department of Pharmacoinformatic NIPER- Mohali Technical Skills:
Scientific Data Retrieval & Analysis:
o Skilled in advanced database navigation (Reaxys, PubMed, PubChem, ScienceDirect, Google Scholar) for literature mining, synthetic pathway design, and structure–activity relationship (SAR) studies.
Spectroscopic & Analytical Techniques:
o NMR Spectroscopy: Applied 1D NMR for structure elucidation, proton/carbon correlation, and impurity profiling of synthesized molecules. o Infrared (IR): Functional group characterization using KBr pellet methods, with application in monitoring synthetic transformations. o UV–Visible Spectroscopy: Performed quantitative analysis of pharmaceutical compounds and monitored reaction kinetics
o Multi-Technique Integration: Experienced in correlating data across NMR, MS, IR, TLC, and flame photometry to ensure structural validity. 3
Chromatographic Methods:
Proficient in compound purification and isolation using column, flash, and preparative TLC, with experience in method optimization for enhanced separation efficiency.
Synthetic & Organic Chemistry:
o Designed and executed organic transformations; proficient in product purification
(chromatography, recrystallization) and structure verification through multi-technique analysis.
o Experience in natural product isolation, including extraction and purification of Mangiferin from Mangifera indica (Pharmacognosy–Phytochemistry Laboratory, B. Pharm).
Classical Analytical Approaches:
o Conducted titrimetric assays (acid–base, iodometry, iodimetry, argentometry) with emphasis on accuracy, reproducibility, and pharmacopeial compliance.
Biochemical & Pharmacological Assays:
o Performed colorimetric biomolecule estimation (e.g., creatinine via Jaffe’s reaction) with application to physiological analysis.
o Conducted acetylcholine bioassay on isolated chicken ileum (Matching & Brackett method), gaining exposure to functional pharmacology and dose–response relationships.
Software Skills:
Gaussian 16: Performed quantum chemical calculations (DFT, HF) for mechanistic/thermodynamic studies, NBO analysis, spectroscopic prediction (IR, NMR), and tautomerism investigations.
Schrodinger- Mastero: Performed molecular docking and basic dynamics simulations using Schrödinger Maestro, including protein-ligand preparation, binding pose prediction, and energy-based analysis of interactions.
Chem Draw: Drew chemical structure of compounds and any synthetic scheme
Python: Basics of Python, FASTA, FASTAQ, CSV file handling
Swiss ADME: Conducted in silico ADMET and drug-likeness prediction for small molecules to prioritize synthetic targets.
MS Office: Acquainted with data sorting and formulation in MS Excel, graphical design and illustration creation in MS PowerPoint, and typing and drafting manuscripts in MS Word. Online Courses:
Excel Essentials for Data Analytics — IBM / Coursera (November 27, 2025)
Drug Discovery — University of California San Diego (Coursera) (November 27, 2025)
Writing in the Sciences — Stanford University (Coursera) (November 26, 2025)
Online Mastering Instrumentation Program (SEM, TEM, AFM, FTIR, HPLC, XRD, UV- Visible, Zeta Potential, GC & Raman Spectroscopy) — Nano Nest Laboratory (October 1– 10, 2025)
XRD Fundamentals & PXRD Applications Workshop — MetaChem Academy (September 25–26, 2025)
English Language Proficiency:
IELTS: 7-band (Nov 14
th
2025)
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