Dr. Farha Arshi

Synthetic & Computational Chemist — DFT Modeling & Complex Synthesis

Anticancer Metallodrugs Molecular Docking Structure–Activity
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Bridging Lab & Computer

Creating molecules like solving puzzles — each experiment guided by computational insight.

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Novel Complexes
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The Science of Smart Molecules

Imagine designing a key that fits perfectly into a lock — except the lock is a cancer cell's protein, and the key is a metal complex you assembled atom by atom. That's exactly what I do.

My PhD research was a five-year adventure in ruthenium chemistry — synthesising ten novel compounds in the lab, then using computers to understand why they work. Think of it as being a chemist and a coder at the same time: the bench confirms what the code predicts.

My Story →

Research Approach

  • Design Ru(III) & half-sandwich complexes as drug candidates
  • Synthesise & characterise with NMR, X-ray, FT-IR, UV-Vis
  • Model electronic properties via DFT in GAUSSIAN
  • Predict binding via molecular docking (AutoDock / Discovery Studio)
  • Establish structure–activity relationships from combined data