Dr. Farha Arshi
Synthetic & Computational Chemist · Ruthenium Metallodrug Design
Quick Facts
Who I Am
I am an inorganic and medicinal chemist at the University of Lucknow, specialising in the design, synthesis, and biological evaluation of ruthenium-based anticancer and antimycobacterial agents. My research sits at the intersection of wet-lab organometallic chemistry and computational drug discovery.
Every complex I synthesise undergoes a parallel computational study: DFT geometry optimisation and HOMO–LUMO analysis reveal the electronic landscape, MEP maps highlight reactive sites, and molecular docking estimates binding affinity inside target proteins. Lab results then validate — or challenge — the predictions.
Beyond the bench, I am building expertise in Python-based computational chemistry — RDKit and DeepChem — with the goal of applying machine learning to drug discovery for metal-based therapeutics.
10+
Ru Complexes
5+
Publications
25+
Citations
4
H-Index
3
Conferences
5+
Years Research
Academic Profiles
How I Approach Research
Computation → Synthesis Loop
Design is computational first; the bench validates or redirects the model. Iteration is the engine of discovery.
Target-Aware Design
Every complex is designed with a biological target in mind, using docking scores and binding-site complementarity to guide ligand choice.
Data-Driven SAR
Systematic substituent variation across a series, correlated with computed and measured properties, to extract transferable design rules.
Collaborative Evaluation
Biological assays — anticancer, antimycobacterial, antioxidant — are run with partner labs to ensure rigorous, independent validation.
Education
Ph.D., Chemistry
University of Lucknow
NAAC A++ · Thesis: Synthesis, Characterization and Biological Evaluation of Ruthenium Complexes with Different Amines · Supervisor: Dr. Ashok Kumar Singh
M.Sc., Chemistry
Isabella Thoburn Degree College, Lucknow
B.Sc., Zoology, Botany & Chemistry
University of Lucknow
Certificate — CADD
CSIR – Central Drug Research Institute
8-week intensive programme in molecular modelling, virtual screening, and molecular docking.
Seeking a Postdoctoral Position
Seeking a postdoctoral position in computational and medicinal inorganic chemistry, with the goal of integrating predictive modelling, computational chemistry, and experimental validation to accelerate the discovery of metal-based therapeutics.