Azar Tahghighi | Molecular Docking & Molecular Dynamic | Research Excellence Award

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Research Excellence Award

Azar Tahghighi
Pastur Institute of Iran
Azar Tahghighi
Affiliation Pastur Institute of Iran
Country Iran
Scopus ID 24923832500
Documents 47
Citations 728
h-index 15
Subject Area Molecular Docking & Molecular Dynamic
Event International Research Awards on Network Science & Graph Analytics
ORCID 0000-0002-1221-4490

Azar Tahghighi is a researcher affiliated with the Pastur Institute of Iran whose scholarly activities span molecular docking, molecular dynamics simulations, medicinal chemistry, antimicrobial discovery, and computational drug design. Her body of work integrates in silico methodologies with experimental validation to investigate biologically active compounds, receptor-ligand interactions, and novel therapeutic candidates. Through contributions to peer-reviewed scientific literature, she has participated in advancing contemporary approaches for drug discovery and biological target identification.[1]

Abstract

This article summarizes the academic achievements and research contributions of Azar Tahghighi in the fields of medicinal chemistry and computational molecular sciences. Her research portfolio emphasizes molecular docking, molecular dynamics, pharmacophore modeling, antimicrobial agent discovery, and receptor-targeted therapeutic development. By combining computational prediction with laboratory validation, her work contributes to the identification of biologically relevant compounds and supports contemporary drug discovery strategies.[2]

Keywords

Molecular Docking, Molecular Dynamics, Medicinal Chemistry, Drug Discovery, TLR7 Ligands, Pharmacophore Modeling, Antibacterial Agents, Antibiofilm Activity, Computational Biology, Virtual Screening.

Introduction

Modern pharmaceutical research increasingly relies on computational techniques to accelerate therapeutic discovery and optimize candidate selection. Azar Tahghighi’s research aligns with this interdisciplinary trend by integrating computational chemistry, structural biology, and medicinal chemistry approaches. Her studies frequently investigate molecular interactions and biological pathways relevant to infectious diseases, immune modulation, and antimicrobial resistance.[3]

Research Profile

According to available scholarly metrics, the researcher has produced 47 indexed documents, accumulated 728 citations, and achieved an h-index of 15. Her scientific activities encompass molecular docking, molecular dynamic simulations, synthetic medicinal chemistry, receptor-targeted drug design, and antimicrobial evaluation. These contributions reflect sustained engagement with computational and experimental biomedical research.[1]

Research Contributions

  • Development of novel triazoloquinoxaline derivatives targeting Toll-like receptor 7.
  • Application of pharmacophore-based virtual screening and molecular docking techniques.
  • Investigation of antibacterial and antibiofilm compounds against resistant pathogens.
  • Research on probiotic-derived antibacterial extracts and microbial control strategies.
  • Evaluation of green chemistry approaches for antifungal drug synthesis.

Publications

  • Structure-guided design of triazolo[4,3-a] quinoxaline-4-ol derivatives as novel TLR7 ligands (2026).
  • Identification of new triazoloquinoxaline amine derivatives against Toll-like receptor 7 (2025).
  • Antibacterial and Antibiofilm Efficacy against MRSA (2025).
  • Click chemistry for green synthesis of antifungal medications (2024).
  • Anti-bacterial and anti-biofilm activity of probiotic Lactobacillus extracts (2024).

Research Impact

The research output demonstrates the practical application of computational methodologies for identifying promising therapeutic candidates. Publications addressing immune receptor modulation, antimicrobial resistance, and medicinal chemistry contribute to scientific understanding in areas of ongoing biomedical importance. Citation performance further indicates that her work has received recognition within relevant academic communities.[4]

Award Suitability

Azar Tahghighi’s multidisciplinary research profile demonstrates sustained scholarly productivity, measurable citation impact, and active engagement in computational and experimental biomedical sciences. Her contributions to molecular modeling, medicinal chemistry, and antimicrobial research align with the principles of research excellence recognized by international scientific award programs. The combination of publication quality, innovation, and translational relevance supports consideration for academic recognition.[5]

Conclusion

Azar Tahghighi has established a research portfolio focused on computational drug discovery, medicinal chemistry, and antimicrobial innovation. Through a combination of molecular modeling techniques and laboratory-based investigations, her work contributes to advancing therapeutic development and biological target evaluation. These accomplishments reflect a meaningful contribution to contemporary biomedical research and scientific scholarship.[6]

References

  1. Elsevier. (n.d.). Scopus author details: Azar Tahghighi, Author ID 24923832500. Scopus.
    https://www.scopus.com/authid/detail.uri?authorId=24923832500
  2. Chemical Physics Impact. (2026). Structure-guided design of triazolo[4,3-a] quinoxaline-4-ol derivatives as novel TLR7 ligands.
    https://doi.org/10.1016/j.chphi.2026.101045
  3. PLOS One. (2025). Identification of new triazoloquinoxaline amine derivatives with potent modulatory effects against Toll-like receptor 7.
    https://doi.org/10.1371/journal.pone.0336701
  4. Journal of Medical Microbiology and Infectious Diseases. (2025). Antibacterial and Antibiofilm Efficacy of a Synthetic Nitrofuranyl Pyranopyrimidinone Derivative.
    https://doi.org/10.61882/JoMMID.13.2.139
  5. Chemical Biology & Drug Design. (2024). Click chemistry beyond metal-catalyzed cycloaddition as a tool for antifungal medication synthesis.
    https://doi.org/10.1111/cbdd.14555
  6. Iranian Biomedical Journal. (2024). Evaluation of Anti-Bacterial and Anti-Biofilm Activity of Native Probiotic Strains of Lactobacillus Extracts.
    https://doi.org/10.61186/ibj.4043

Vijaykumar Nimbarte | Medicinal Chemistry | Best Researcher Award

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Dr. Vijaykumar Nimbarte | Medicinal Chemistry | Best Researcher Award

BITS Pilani Hyderabad Campus | India

Author Profiles

Scopus

Google Scholar

Early Academic Pursuits

Dr. Vijaykumar Nimbarte began his academic journey with a Bachelor’s degree in Pharmaceutical Sciences from Nagpur University, India, where he acquired foundational knowledge in pharmaceutics, pharmacology, pharmaceutical chemistry, and pharmacognosy. He further advanced his expertise with an M.S. in Medicinal and Pharmaceutical Chemistry from NIPER Hyderabad, India, focusing on the design, synthesis, and biological evaluation of novel soluble epoxide hydrolase inhibitors with anti-inflammatory potential. During this period, he received the NIPER research assistantship and GPAT fellowship and participated in multiple drug discovery workshops, laying a strong foundation in medicinal chemistry. His Ph.D. at Goethe University, Germany, under the Marie Curie Early Stage Researcher Fellowship, focused on the design, synthesis, and evaluation of novel c-MYC G-Quadruplex stabilizing agents, earning him the highest distinction (magna cum laude).

Professional Endeavors

Following his Ph.D., Dr. Nimbarte expanded his research expertise through several key roles in international academic and industrial settings. He worked as a Project Associate in France at the University of Le Havre, where he developed azaindole-based compounds for anticancer activity. At CSIR-IICT Hyderabad, he contributed to synthesizing PBD-based intercalating agents and novel tubulin polymerase inhibitors. Most recently, he served as a Post-Doctoral Scientist at the Max Planck Institute for Medical Research, Germany, where he focused on structure-based drug design for peripheral neuropathy, collaborating with international research centers to optimize CNS-restricted drug candidates. Since January 2024, he has been an Assistant Professor of Medicinal Chemistry at BITS Pilani, Hyderabad, India.

Contributions and Research Focus

Dr. Nimbarte’s research primarily revolves around medicinal chemistry, structure-based drug design, chemical biology, and the development of biologically active small molecules. His work spans multistep organic synthesis, isotope labeling, and characterization using NMR, Mass, IR, and UV techniques. He has actively contributed to designing compounds that stabilize G-Quadruplex DNA structures, targeting cancer, and developing peripheral-restricted CNS drug candidates, addressing blood-brain barrier permeability issues. He has also applied advanced computational methods, including Schrodinger and ChemAxon software, to improve the efficiency and specificity of drug design.

Impact and Influence

With over 10 years of academic-industrial research experience, Dr. Nimbarte has significantly influenced the field of medicinal chemistry. His projects have successfully transitioned from conceptual design to lead candidate development, demonstrating his ability to combine theoretical design with practical synthesis and biological evaluation. He has collaborated internationally, mentored graduate students, led small group teaching sessions, and contributed to scientific knowledge through presentations and publications.

Academic Citations and Publications

Dr. Nimbarte has published more than 17 research papers in reputable international medicinal chemistry journals, including ChemMedChem. He has served as a potential reviewer for multiple journals such as Medicinal Chemistry Research, Bioorganic and Medicinal Chemistry Letters, Bioorganic Chemistry, and Current Medicinal Chemistry, reflecting his recognition as an expert in his field.

Legacy and Future Contributions

Dr. Nimbarte’s legacy lies in bridging the gap between academic research and practical drug discovery through innovative medicinal chemistry approaches. His work on G-Quadruplex stabilizing agents and peripherally restricted CNS drugs has paved the way for safer, more effective therapeutic candidates. Looking forward, his focus will likely continue on designing targeted small molecules with high therapeutic potential while mentoring the next generation of scientists and expanding interdisciplinary collaborations.

Conclusion

Dr. Vijaykumar Nimbarte exemplifies the integration of deep scientific knowledge, practical drug discovery experience, and academic mentorship. His early academic achievements, international research exposure, and impactful publications reflect a career dedicated to advancing medicinal chemistry. Through his innovative approaches, collaborative ethos, and commitment to teaching, he continues to make significant contributions to both the scientific community and future generations of researchers.

Notable Publications

“Understanding the Impact of Calcineurin Inhibitors on T Cell Regulation: Mechanisms and Clinical Implications" 

  • Author: VD Nimbarte, SS Sonak, S Ishwarkar
  • Journal: Critical Reviews
  • Year: 2025

"Modulation of T Cell Regulation by Interleukin-2 Agonists: Mechanisms and Clinical Implications" 

  • Author: SS Sonak, S Ishwarkar, C Nimbarte, VD Nimbarte‏
  • Journal: Critical Reviews
  • Year: 2025

"Synthesis and in Vitro Evaluation of Novel 5‐Nitroindole Derivatives as c‐Myc G‐Quadruplex Binders with Anticancer Activity" 

  • Author: VD Nimbarte, J Wirmer‐Bartoschek, SL Gande, I Alshamleh, M Seibert
  • Journal: ChemMedChem
  • Year: 2021

"Synthesis and Biological Screening of New Lawson Derivatives as Selective Substrate‐Based Inhibitors of Cytochrome bo3 Ubiquinol Oxidase from Escherichia coli" 

  • Author: I Elamri, M Radloff, KF Hohmann, VD Nimbarte, HR Nasiri, M Bolte‏
  • Journal: ChemMedChem‏
  • Year: 2020

"Anti-tyrosinase, anti-cholinesterase and cytotoxic activities of extracts and phytochemicals from the Tunisian Citharexylum spinosum L.: Molecular docking and SAR analysis" 

  • Author: I Saidi, VD Nimbarte, H Schwalbe, P Waffo-Teguo, AH Harrath, L Mansour
  • Journal: Bioorganic Chemistry
  • Year: 2020