Publications by authors named "Jagadish Singh"

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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, Jagadish Singh

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, Jagadish Singh

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, Jagadish Singh

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, Jagadish Singh

RSC Adv· August 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, Jagadish Singh

In Silico Pharmacol· January 2025

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Biflanged metal stents versus plastic stents for endoscopic ultrasound-guided drainage of walled-off necrosis: a randomized controlled trial.
Krithi Krishna Koduri, Nitin Jagtap, Sundeep Lakhtakia, Basha Jahangeer, Shujaath Asif, Jagadish Singh

Endoscopy· December 2024

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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

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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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, Jagadish Singh

In Silico Pharmacol· October 2024

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Combined effect of Poynting-Robertson (P-R) drag, oblateness and radiation on the triangular points in the elliptic restricted three-body problem.
Jagadish Singh, Blessing Samuel Ashagwu

Sci Rep· May 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

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, Jagadish Singh

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

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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Technical performance and diagnostic yield of motorised spiral enteroscopy compared with single-balloon enteroscopy in suspected Crohn's disease: a randomised controlled, open-label study (the MOTOR-CD trial).
Partha Pal, Mohan Ramchandani, Rupa Banerjee, Piyush Viswakarma, Aniruddha Pratap Singh, Jagadish Singh

Gut· October 2023

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The collinear equilibrium points in the elliptic restricted synchronous three-body problem under an oblate primary and a dipole secondary.
Jagadish Singh, Richard K Tyokyaa

Heliyon· March 2023

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Albedo effects in the ER3BP with an oblate primary, a triaxial secondary and a potential due to belt.
Jagadish Singh, Tyokyaa K Richard

Sci Rep· March 2023

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Aquatic toxicity prediction of diverse pesticides on two algal species using QSTR modeling approach.
Purusottam Banjare, Jagadish Singh, Ester Papa, Partha Pratim Roy

Environ Sci Pollut Res Int· January 2023

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In silico selectivity modeling of pyridine and pyrimidine based CYP11B1 and CYP11B2 inhibitors: A case study.
Balaji Wamanrao Matore, Purusottam Banjare, Jagadish Singh, Partha Pratim Roy

J Mol Graph Model· 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

In Silico Pharmacol· September 2022

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Out-of-plane equilibria in the perturbed photogravitational restricted three-body problem with Poynting-Robertson (P-R) drag.
Aguda Ekele Vincent, Jagadish Singh

Heliyon· June 2022

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EUS versus MRCP to perform ERCP in patients with intermediate likelihood of choledocholithiasis: a randomised controlled trial.
Nitin Jagtap, J Kiran Kumar, Radhika Chavan, Jahangeer Basha, Manu Tandan, Jagadish Singh

Gut· February 2022

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On the restricted three-body model of the dynamical behaviour of masses of fullerenes at the nanoscale.
Jagadish Singh, Richard Kanshio Tyokyaa

Heliyon· February 2022

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Effects of perturbations on the stability of equilibrium points in the CR3BP with luminous and heterogeneous spheroid primaries.
Jagadish Singh, Shitu Muktar Ahmad

Sci Rep· February 2022

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