Peer-Reviewed Work

Publications

5 peer-reviewed articles across Q1/Q2 journals in inorganic, medicinal, and computational chemistry — plus 1 preprint and 1 book chapter.

26

Citations

4

H-Index

5

Publications

6

Total Works

Journal Articles

Peer-Reviewed Publications

Jan 2026Published

Exploring Schiff Base and its Palladium Complexes: Synthesis, Characterization, Antimycobacterial Activity, DFT, Molecular Docking and ADME Studies

Journal of Molecular Structure

Synthesis and characterisation of Schiff-base palladium complexes with full computational profiling (DFT, HOMO–LUMO, MEP, molecular docking, ADME) and antimycobacterial evaluation.

PalladiumDFTADMEAntimycobacterial
Read Paper ↗DOI: 10.1016/j.molstruc.2025.143704
Apr 2025Published

New Ru(III) 2,6-Bis(2-Benzimidazolyl)Pyridine Complexes Bearing p-Sub-Benzyl Thiosemicarbazones Schiff Base: Synthesis, Characterization, DNA Binding and Anti-cancer Activity

Chemistry – An Asian Journal

Ru(III) complexes with 2,6-bis(2-benzimidazolyl)pyridine and p-substituted benzyl thiosemicarbazone Schiff bases; DNA binding, anticancer activity, and full DFT characterisation.

Ru(III)DNA BindingAnticancerThiosemicarbazones
Read Paper ↗DOI: 10.1002/asia.202500059
Jan 2025Published

Design, Synthesis, and Biological Insights of Half-Sandwich Ruthenium–Arene Schiff Base Complexes: Molecular Docking and DFT

ChemistrySelect

Half-sandwich η⁶-arene Ru(II) complexes with Schiff-base ligands; full structure-based computational analysis and anticancer/antimycobacterial biological evaluation.

Half-Sandwich Ru(II)Piano-StoolMolecular DockingDFT
Read Paper ↗DOI: 10.1002/slct.202404895
Feb 2023Published

Synthesis, DFT Calculation, DNA Binding and Biological Evaluation of Mononuclear Ru(III) Complexes with 2,6-Bis(2-benzimidazolyl)pyridine Bearing p-Substituted Heterochalcones

Russian Journal of General Chemistry

Mononuclear Ru(III) complexes with benzimidazolyl-pyridine scaffold; DFT, DNA binding studies, and biological evaluation against anticancer and antimycobacterial targets.

Ru(III)DNA BindingDFTHeterochalcones
Read Paper ↗DOI: 10.1134/S1070363223020202
Nov 2022Published

Design, Synthesis, Theoretical, Spectroscopic and Molecular Docking Studies of Ruthenium and Zinc Complexes and their Antimycobacterial Study

Asian Journal of Chemistry

Ruthenium and zinc Schiff-base complexes with complete DFT, spectroscopic characterisation, molecular docking, and antimycobacterial evaluation.

RutheniumZincAntimycobacterialDocking
Read Paper ↗DOI: 10.14233/ajchem.2022.23867
Preprint 2024Preprint

Ampicillin-Derived Ruthenium Schiff Base Complexes as Emerging Anticancer and Antimicrobial Candidates: Synthesis, Characterization, DFT, ADME and Molecular Docking

SSRN

Ampicillin-derived Ru Schiff-base complexes as dual anticancer/antimicrobial candidates with complete DFT, ADME, and molecular docking profiling.

RutheniumAmpicillinAnticancerADME
Read Paper ↗DOI: 10.2139/ssrn.5512074
Authored Chapter

Book Chapter

2022Book Chapter

Synthesis, Characterization, Molecular Docking and Biological Evaluation of Ruthenium Complexes

Arshi, F., & Singh, A. K.

In Advancement in Chemical Sciences (Chapter 7, pp. 97–118). Aryabhat Publication House.

ISBN978-93-95463-01-0
Chapter7
Pages97–118
Ruthenium ComplexesMolecular DockingBiological EvaluationOrganometallic Synthesis
Scientific Dissemination

Conference Presentations

2025Poster

Comprehensive Exploration of Ampicillin-Schiff Base Metal Complexes: Synthesis, DFT Insights, Molecular Docking, and Biotherapeutic Applications

30th ISCB International Conference

International Society for Chemical and Biological Sciences

Schiff BaseDFTMolecular DockingBiotherapeutic
2022Oral

Synthesis, Characterization, Molecular Docking and Biological Evaluation of Ruthenium Complexes

ICMARI 2022

International Conference on Multidiscipline Academic Research and Innovation

Ruthenium ComplexesMolecular DockingSynthesis
2023Oral

Synthesis, Spectral Studies and Molecular Docking of Thiosemicarbazide Ligands and Ruthenium Complexes

National Seminar on Sustainable Development and Environmental Protection, 2023

Netaji Subhash Chandra Bose Government Girls P.G. College, Lucknow

ThiosemicarbazideSpectral StudiesMolecular Docking
Training & Certification

Workshops & Professional Development

20198-Week Certificate

Computational Approaches to Drug Design and Development (CADD)

CSIR – Central Drug Research Institute (CDRI), Lucknow

Molecular DockingADMEPharmacophore ModellingVirtual Screening
Workshop

Good Laboratory Practice (GLP)

Virtual Workshop

HPTLC: Technique and Applications

Anchrom Enterprises (I) Pvt. Ltd. & Smriti College of Pharmaceutical Education

Community & Service

Professional Membership & Scientific Outreach

Membership

Member, Chemical Society

Outreach

Volunteer, India International Science Festival

Clean Air Campaign