Guru Nanak Institutions Technical Campus, India
Dr. Uppula Purushotham is an accomplished researcher in theoretical and computational chemistry with expertise in AI/ML applications for drug design, molecular docking, QSAR, and quantum chemical studies. With a strong academic background and industrial experience, he has contributed significantly to computer-aided drug discovery, mechanistic studies of organic reactions, and the screening of natural products for drug development. His research has led to multiple publications in high-impact journals, invited lectures at national and international workshops, and participation in prestigious conferences. He has also held administrative roles, mentoring students and leading innovation-driven projects in computational chemistry and artificial intelligence.
Professional Profile
Education
Dr. Purushotham earned his Ph.D. in Theoretical and Computational Chemistry from CSIR-Indian Institute of Chemical Technology, Hyderabad, in 2014. His research focused on computational studies of aromatic amino acids and their ionic counterparts. He completed his M.Sc. in Organic Chemistry from Kakatiya University, Warangal, in 2008, providing him with a strong foundation in chemical sciences and research methodologies.
Professional Experience
Dr. Purushotham has held various academic and research positions, currently serving as an Assistant Professor at Guru Nanak Institutions Technical Campus, where he teaches Engineering Chemistry and conducts research in computational chemistry. Previously, he was the Director & Research Scientist at Qstatix Pvt. Ltd., leading projects in drug design, AI applications, and molecular simulations. He also held a post-doctoral fellowship at Nagoya University, Japan, where he worked on electrolyte additives for sodium-ion batteries. His experience spans academia, industry, and international research collaborations.
Research Interest
Dr. Uppula Purushotham’s research focuses on theoretical and computational chemistry, with a particular emphasis on AI and machine learning applications in drug discovery. His expertise includes molecular docking, QSAR modeling, and quantum chemical calculations to predict and analyze molecular interactions. He has contributed significantly to computer-aided drug design, screening natural products for pharmaceutical applications, and understanding reaction mechanisms at the atomic level. His work extends to molecular simulations for drug-target interactions, virtual screening of bioactive compounds, and the development of predictive models for drug efficacy and toxicity. Additionally, he is involved in the design of electrolyte additives for advanced battery technologies. Dr. Purushotham actively collaborates with interdisciplinary teams, integrating computational tools with experimental data to accelerate drug development and material science innovations. His research aims to enhance precision in drug design and contribute to advancements in computational methodologies for solving complex chemical and biological challenges.
Research Skills
Dr. Uppula Purushotham possesses extensive research skills in theoretical and computational chemistry, particularly in molecular modeling, quantum chemistry, and cheminformatics. He is proficient in molecular docking, QSAR modeling, and molecular dynamics simulations, enabling precise predictions of drug-target interactions. His expertise extends to quantum chemical calculations using advanced computational tools like Gaussian, Schrödinger, and AutoDock for energy minimization, electronic structure analysis, and reaction mechanism studies. Additionally, he is skilled in machine learning techniques for drug discovery, utilizing AI-driven predictive models to enhance drug efficacy and minimize toxicity. Dr. Purushotham has hands-on experience with high-throughput virtual screening, lead optimization, and density functional theory (DFT) calculations. His ability to integrate computational and experimental data facilitates groundbreaking discoveries in pharmaceutical research and materials science. He also possesses strong analytical skills in data interpretation, statistical modeling, and visualization, ensuring accuracy and efficiency in scientific problem-solving.
Awards and Honors
Dr. Uppula Purushotham has received numerous prestigious awards and honors in recognition of his outstanding contributions to theoretical and computational chemistry. He has been awarded research fellowships from leading scientific institutions, acknowledging his innovative work in molecular modeling and cheminformatics. His excellence in academic research has earned him best paper awards at international conferences, highlighting his significant contributions to drug discovery and materials science. Additionally, he has been honored with young scientist awards from reputed scientific organizations, recognizing his pioneering studies in quantum chemistry and machine learning applications in drug design. Dr. Purushotham has also received competitive grants and funding for his research projects, reflecting his ability to secure support for high-impact studies. His exceptional work has been published in top-tier peer-reviewed journals, further cementing his reputation as a distinguished researcher. These accolades demonstrate his dedication to advancing scientific knowledge and his influence in the field of computational chemistry.
Conclusion
Dr. Uppula Purushotham is a highly qualified and impactful researcher with significant contributions to computational chemistry, AI-driven drug discovery, and theoretical studies. His experience across academia, industry, and international research institutions makes him a strong candidate for the Best Researcher Award. Enhancing his global collaborations, securing patents, and increasing high-impact publications would further solidify his credentials for the award.
Publications Top Noted
- Title: Novel biosynthesized gold nanoparticles as anti-cancer agents against breast cancer: Synthesis, biological evaluation, molecular modelling studies
Authors: SK Vemuri, RR Banala, S Mukherjee, P Uppula, GPV Subbaiah, GR AV, …
Year: 2019
Citations: 116
- Title: A Computational Chemical Insight into Microscopic Additive Effect on Solid Electrolyte Interphase Film Formation in Sodium-Ion Batteries: Suppression of Unstable Film Growth by …
Authors: MN Norio Takenaka, Hirofumi Sakai, Yuichi Suzuki, Purushotham Uppula
Year: 2015
Citations: 104
- Title: Trimethylsumanene: Enantioselective Synthesis, Substituent Effect on Bowl Structure, Inversion Energy, and Electron Conductivity
Authors: S Higashibayashi, R Tsuruoka, Y Soujanya, U Purushotham, …
Year: 2012
Citations: 87
- Title: Additive Effect of Fluoroethylene and Difluoroethylene Carbonates for the Solid Electrolyte Interphase Film Formation in Sodium-Ion Batteries: A Quantum Chemical Study
Authors: MN Purushotham Uppula, Norio Takenaka
Year: 2016
Citations: 62
- Title: Synthesis and biological evaluation of Schizandrin derivatives as potential anti-cancer agents
Authors: D Amujuri, B Siva, B Poornima, K Sirisha, AVS Sarma, VL Nayak, …
Year: 2018
Citations: 39
- Title: Synthesis and biological evaluation of bergenin-1, 2, 3-triazole hybrids as novel class of anti-mitotic agents
Authors: PP Kumar, B Siva, BV Rao, GD Kumar, VL Nayak, SN Jain, AK Tiwari, …
Year: 2019
Citations: 32
- Title: Conjugate acene fused buckybowls: evaluating their suitability for p-type, ambipolar and n-type air stable organic semiconductors
Authors: U Purushotham, GN Sastry
Year: 2013
Citations: 32
- Title: Synthesis, biological evaluation, and molecular modeling of (E)-2-aryl-5-styryl-1,3,4-oxadiazole derivatives as acetylcholine esterase inhibitors
Authors: A Kamal, AB Shaik, GN Reddy, CG Kumar, J Joseph, GB Kumar, …
Year: 2014
Citations: 30
- Title: A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L‐phenylalanine
Authors: U Purushotham, D Vijay, G Narahari Sastry
Year: 2012
Citations: 25
- Title: A comprehensive conformational analysis of tryptophan, its ionic and dimeric forms
Authors: U Purushotham, GN Sastry
Year: 2014
Citations: 22
