Publications by authors named "Partha P Roy"

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1,3,4-Thiadiazole Derivatives as VEGFR-2 Inhibitors and Its Molecular Insight for Cancer Therapy.
Pragya Gawande, Balaji Wamanrao Matore, Anjali Murmu, Akshay Kumar, Souranava Jana, Partha Pratim Roy

Chem Biodivers· December 2025

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A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors.
Deepali Shukla, Balaji Wamanrao Matore, Anjali Murmu, Pragya Gawande, Partha Pratim Roy

Future Med Chem· December 2025

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Discovery of newer 1,3,4-Oxadiazole clubbed Isoindoline-1,3-dione derivatives as potential anticancer agents: Design, machine learning, synthesis, molecular docking, ADMET, DFT and MD simulation.
Balaji Wamanrao Matore, Anjali Murmu, Purusottam Banjare, Naveen Kumar Vishvakarma, Partha Pratim Roy

Comput Biol Chem· October 2025

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Rhodamine and functionalised azobenzene condensed fluorescent novel receptor for the selective and sensitive detection of Hg: a combined experimental and theoretical study.
Pradeep Sahu, Amit Kumar Chaturwedi, Ashok Raj Patel, Abhilash Pandey, Vanshika Sharma, Partha Pratim Roy

RSC Adv· August 2025

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Single-shot, receptor-free, rapid detection and classification of five respiratory viruses by machine learning integrated SERS sensing platform.
Arti Yadav, Rakesh Naik, Ekta Gupta, Partha Pratim Roy, Sachin K Srivastava

Biosens Bioelectron· July 2025

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Annihilation-limited long-range exciton transport in high-mobility conjugated copolymer films.
Yuping Shi, Partha P Roy, Naoki Higashitarumizu, Tsung-Yen Lee, Quanwei Li

Proc Natl Acad Sci U S A· April 2025

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Nano-ionic Solid Electrolyte FET-Based Reservoir Computing for Efficient Temporal Data Classification and Forecasting.
Ankit Gaurav, Xiaoyao Song, Sanjeev Kumar Manhas, Partha Pratim Roy, Maria Merlyne De Souza

ACS Appl Mater Interfaces· March 2025

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Network pharmacology and bioinformatics based investigation of : herb-drug interaction study.
Joyeeta Das, Ravi Adinarayan Somabattini, Nikita Chhabra, Partha Pratim Roy, Rakibul Islam

J Biomol Struct Dyn· February 2025

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Exploring QSTR and q-RASTR modeling of agrochemical toxicity on cabbage for environmental safety and human health.
Surbhi Jyoti, Anjali Murmu, Balaji Wamanrao Matore, Jagadish Singh, Partha Pratim Roy

Environ Sci Pollut Res Int· February 2025

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Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors.
Nikita Chhabra, Balaji Wamanrao Matore, Nisha Lakra, Purusottam Banjare, Anjali Murmu, Partha Pratim Roy

In Silico Pharmacol· January 2025

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Unveiling the interspecies correlation and sensitivity factor analysis of rat and mouse acute oral toxicity of antimicrobial agents: first QSTR and QTTR Modeling report.
Purusottam Banjare, Anjali Murmu, Balaji Wamanrao Matore, Jagadish Singh, Ester Papa, Partha Pratim Roy

Toxicol Res (Camb)· December 2024

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1,3,4-Oxadiazole: An Emerging Scaffold to Inhibit the Thymidine Phosphorylase as an Anticancer Agent.
Anjali Murmu, Purusottam Banjare, Balaji Wamanrao Matore, Partha Pratim Roy, Jagadish Singh

Curr Med Chem· October 2024

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Chlorophyll to zeaxanthin energy transfer in nonphotochemical quenching: An exciton annihilation-free transient absorption study.
Tsung-Yen Lee, Lam Lam, Dhruv Patel-Tupper, Partha Pratim Roy, Sophia A Ma

Proc Natl Acad Sci U S A· October 2024

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First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studies.
Lomash Banjare, Anjali Murmu, Nilesh Kumar Pandey, Balaji Wamanrao Matore, Purusottam Banjare, Partha Pratim Roy

In Silico Pharmacol· October 2024

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Cognitive workload estimation using physiological measures: a review.
Debashis Das Chakladar, Partha Pratim Roy

Cogn Neurodyn· August 2024

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Modeling Effects of Rumination on Free Recall Using ACT-R.
Anmol Gupta, Clemens Kaiser, Jonas Everaert, Marieke van Vugt, Partha P Roy

Top Cogn Sci· March 2024

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Integrated predictive QSAR, Read Across, and q-RASAR analysis for diverse agrochemical phytotoxicity in oat and corn: A consensus-based approach for risk assessment and prioritization.
Nilesh Kumar Pandey, Anjali Murmu, Purusottam Banjare, Balaji Wamanrao Matore, Jagadish Singh, Partha Pratim Roy

Environ Sci Pollut Res Int· February 2024

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soil degradation and ecotoxicity analysis of veterinary pharmaceuticals on terrestrial species: first report.
Purusottam Banjare, Rekha Singh, Nilesh Kumar Pandey, Balaji Wamanrao Matore, Anjali Murmu, Partha Pratim Roy

Toxicol Res (Camb)· February 2024

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Strategy: A Promising Implement in the Development of Multitarget Drugs against Neurodegenerative Diseases.
Purusottam Banjare, Balaji Wamanrao Matore, Anjali Murmu, Vikash Kumar, Jagadish Singh, Partha Pratim Roy

Curr Top Med Chem· December 2023

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Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT.
Balaji Wamanrao Matore, Partha Pratim Roy, Jagadish Singh

J Biomol Struct Dyn· November 2023

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Raw Electroencephalogram-Based Cognitive Workload Classification Using Directed and Nondirected Functional Connectivity Analysis and Deep Learning.
Anmol Gupta, Ronnie Daniel, Akash Rao, Partha Pratim Roy, Sushil Chandra

Big Data· August 2023

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Comparing resting state and task-based EEG using machine learning to predict vulnerability to depression in a non-clinical population.
Pallavi Kaushik, Hang Yang, Partha Pratim Roy, Marieke van Vugt

Sci Rep· May 2023

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Infrared Signatures of Phycobilins within the Phycocyanin 645 Complex.
Partha Pratim Roy, Cristina Leonardo, Kaydren Orcutt, Catrina Oberg, Gregory D Scholes

J Phys Chem B· May 2023

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Decoding the cognitive states of attention and distraction in a real-life setting using EEG.
Pallavi Kaushik, Amir Moye, Marieke van Vugt, Partha Pratim Roy

Sci Rep· November 2022

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Pharmacophore based virtual screening of cholinesterase inhibitors: search of new potential drug candidates as antialzheimer agents.
Nisha Lakra, Balaji Wamanrao Matore, Purusottam Banjare, Rekha Singh, Jagadish Singh, Partha Pratim Roy

In Silico Pharmacol· September 2022

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