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Hire Dr. Shilpa S.

Sweden

USD 20 /hr

Structural Bioinformatician | Expert in Computational Drug Design, Immunoinformatics, and Molecular Simulations

Profile Summary

I am a highly driven Structural Bioinformatician with a Ph.D. in Computational Chemistry and Computer-Aided Drug Design from Bennett University, India. My expertise spans computational drug discovery, immunoinformatics, structural bioinformatics, and molecular dynamics simulations, with a strong foundation in computational chemistry and biophysics. Over the years, I have conducted in-depth research into protein-ligand and protein-protein/peptide interactions, applying advanced simulation and modeling techniques to understand molecular mechanisms relevant to infectious diseases, metabolic disorders, cancer, and inflammation. My work has contributed to the identification and optimization of potential drug candidates, vaccine design, and structural characterization of therapeutic targets, including Mnk kinases, eIF4s, IL6, AKT, HSP90, MAO-A, and SARS-CoV-2 proteins. I have held key research roles at institutions such as the Translational Health Science and Technology Institute (THSTI) and ICMR-NICPR, leading projects on epitope prediction, immune system modeling, network pharmacology, and phytochemical screening. I am skilled in tools such as GROMACS, AMBER, AutoDock, Schrödinger Suite, IEDB tools, and Cytoscape, and proficient in Python, R, and C for scripting and data analysis. My academic journey is marked by multiple research publications in high-impact journals, with 16 publications, over 160 citations, and several patents filed in therapeutic discovery. I have also mentored graduate students and served as a teaching assistant, contributing to curriculum design and lab instruction. With a combination of deep scientific insight and computational rigor, I aim to continue contributing to translational research that bridges theoretical models with clinical applications in drug discovery and precision medicine.

Subject Matter Expertise

• ★ Computational Chemistry
• ★ Computer Simulation/Computational Modeling
• ★ Structural Bioinformatics
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Data Analysis
• ☆ Bioinformatics

Services

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing

Research Gap Analysis, Scientific and Technical Research, Systematic Literature Review, Secondary Data Collection

Consulting Scientific and Technical Consulting

Data & AI Data Visualization, Data Insights

Work Experience

Research Scholar

Bennett University

- Present

Research Associate

THSTI

December 2022 - May 2024

Post Doc

Translational Health Science and Technology Institute

December 2022 - May 2024

Doctoral fellow

Bennett University

July 2019 - August 2022

Education

Ph.D

Bennett University

July 2019 - August 2022

M.Sc. Bioinformatics

Jamia Millia Islamia University - India

July 2015 - July 2017

B.Sc. Zoology

University of Delhi

July 2012 - July 2015

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Mohamad Haider, Shilpa Sharma, Ashish Kumar Agrahari, Madhu Dikshit, Dharam Pal Pathak, Shailendra Asthana (2025). Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic region . Journal of Biomolecular Structure and Dynamics.

Shilpa Sharma, Ashish Sharma, Rajinder Singh Chauhan (2024). Computational dissection through network pharmacology and structure-based analysis unravels mechanistic actions of bioactive compounds in a hepatoprotective herb, Picrorhiza kurroa for the treatment of NAFLD and NASH . Journal of Biomolecular Structure and Dynamics.

Dharti K. Patel, Ravi Rawat, Shilpa Sharma, Kruti Shah, Nayan Borsadiya, Dr.Gayatri Dave (2024). Linker-assisted engineering of chimeric xylanase-phytase for improved thermal tolerance of feed enzymes . Journal of Biomolecular Structure and Dynamics.

Shilpa Sharma, Mrityunjay Singh, Adarsh Kumar Chiranjivi, Anica Dadwal, Shubbir Ahmed, Shailendra Asthana, Supratik Das (2024). Structural insights into trypanosomatid Mnk kinase orthologues (kMnks) suggest altered mechanism in the kinase domain . International Journal of Biological Macromolecules.

Snehal Arvindekar, Suraj Mohole, Aishwarya Patil, Pradnya Mane, Aditya Arvindekar, Dr. SURAJ N. MALI, Bapu Thorat, Ravi Rawat, Shilpa Sharma (2023). Molecular docking, QSAR, pharmacophore modeling, and dynamics studies of some chromone derivatives for the discovery of anti-breast cancer agents against hormone-dependent breast cancer . Journal of Biomolecular Structure and Dynamics.

Bhaskar Sahu, Rohit Bhatia, Dilpreet Kaur, Diksha Choudhary, Ravi Rawat, Shilpa Sharma, Bhupinder Kumar (2023). Design, synthesis and biological evaluation of oxadiazole clubbed piperazine derivatives as potential antidepressant agents . Bioorganic Chemistry.

Deepa Khare, Anchal Aggarwal, Shilpa Sharma (2023). Virtual Screening of Novel Phytocompound(s) with Potential to Combat Mycobacterium tuberculosis Infection . Letters in Drug Design & Discovery.

Nilay Kumar Nandi, Rohit Bhatia, Suresh Saini, Ravi Rawat, Shilpa Sharma, Khadga Raj, Naresh Rangra, Bhupinder Kumar (2023). Design, synthesis, pharmacological and in silico screening of disubstituted-piperazine derivatives as selective and reversible MAO-A inhibitors for treatment of depression . Journal of Molecular Structure.

Shilpa Sharma, Ashish Sharma, Dipto Bhattacharyya, Rajinder S. Chauhan (2022). Computational identification of potential inhibitory compounds in Indian medicinal and aromatic plant species against major pathogenicity determinants of SARS-CoV-2 . Journal of Biomolecular Structure and Dynamics.

Ashish Sharma, Shilpa Sharma, Hemant Sood, Rajinder Singh Chauhan (2022). Comparative coexpression networks pinpoint acyltransferases decorating structures of major iridoid glycosides in a medicinal herb, Picrorhiza kurroa . Plant Gene.

Anjali Kharb, Shilpa Sharma, Ashish Sharma, Neeti Nirwal, Roma Pandey, Dipto Bhattacharyya, Rajinder Singh Chauhan (2022). Capturing acyltransferase(s) transforming final step in the biosynthesis of a major Iridoid Glycoside, (Picroside-II) in a Himalayan Medicinal Herb, Picrorhiza kurroa . Molecular Biology Reports.

Ashish Sharma, Dipto Bhattacharyya, Shilpa Sharma, Rajinder Singh Chauhan (2021). Transcriptome profiling reveal key hub genes in co-expression networks involved in Iridoid glycosides biosynthetic machinery in Picrorhiza kurroa . Genomics.

Shehnaz Fatima, Payal Gupta, Shilpa Sharma, Ashish Sharma, Subhash Mohan Agarwal (2020). ADMET Profiling of Geographically Diverse Phytochemical Using Chemoinformatic Tools . Future Medicinal Chemistry.

Ashish Sharma, Shilpa Sharma, Mansi Gupta, Shehnaz Fatima, Ravi Saini, Subhash Mohan Agarwal (2018). Pharmacokinetic profiling of anticancer phytocompounds using computational approach . Phytochemical Analysis.

Shilpa Sharma, Mansi Gupta, Ashish Sharma, Subhash M. Agarwal (2018). Oral Bioavailability of Naturally Occurring Anticancer Phytomolecules . Letters in Drug Design & Discovery.