Search Results - "Ojha, Probir Kumar"

First report on a classification-based QSAR model for chemical toxicity to earthworm by Roy, Joyita, Kumar Ojha, Probir, Carnesecchi, Edoardo, Lombardo, Anna, Roy, Kunal, Benfenati, Emilio

“…[Display omitted] •We developed a classification-based QSAR model using earthworm toxicity data (LC50).•Only 2D descriptors were used for the model…”
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Comparative Studies on Some Metrics for External Validation of QSPR Models by Roy, Kunal, Mitra, Indrani, Kar, Supratik, Ojha, Probir Kumar, Das, Rudra Narayan, Kabir, Humayun

“…Quantitative structure–property relationship (QSPR) models used for prediction of property of untested chemicals can be utilized for prioritization plan of…”
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Exploring QSAR, pharmacophore mapping and docking studies and virtual library generation for cycloguanil derivatives as PfDHFR-TS inhibitors by Ojha, Probir Kumar, Roy, Kunal

“…Resistance of available antimalarial drugs against Plasmodium species is one of the major problems of malaria control in the developing world. In the present…”
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Lead Hopping for PfDHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three-Layered Virtual Screening Approach by Kumar Ojha, Probir, Mitra, Indrani, Kar, Supratik, Narayan Das, Rudra, Roy, Kunal

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Exploring QSPR modeling for adsorption of hazardous synthetic organic chemicals (SOCs) by SWCNTs by Ghosh, Sulekha, Ojha, Probir Kumar, Roy, Kunal

“…In order to understand the physicochemical properties as well as the mechanisms behind adsorption of hazardous synthetic organic chemicals (SOCs) onto single…”
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Chemometric modeling, docking and in silico design of triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors as antimalarials by Ojha, Probir Kumar, Roy, Kunal

“…In the present work, QSAR and molecular docking studies have been performed on triazolopyrimidine-based dihydroorotate dehydrogenase (DHODH) inhibitors as…”
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Recent advances in quantitative structure-activity relationship models of antimalarial drugs by Ojha, Probir Kumar, Kumar, Vinay, Roy, Joyita, Roy, Kunal

“…Due to emerging resistance to the first-line artemisinin-based antimalarials and lack of efficient vaccines and limited chemotherapeutic alternatives, there is…”
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A Multi-layered Variable Selection Strategy for QSAR Modeling of Butyrylcholinesterase Inhibitors by Kumar, Vinay, De, Priyanka, Ojha, Probir Kumar, Saha, Achintya, Roy, Kunal

“…Alzheimer's disease (AD), a neurological disorder, is the most common cause of senile dementia. Butyrylcholinesterase (BuChE) enzyme plays a vital role in…”
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Aptamer-Functionalized Drug Nanocarrier Improves Hepatocellular Carcinoma toward Normal by Targeting Neoplastic Hepatocytes by Chakraborty, Samrat, Dlie, Zewdu Yilma, Chakraborty, Somdyuti, Roy, Somdatta, Mukherjee, Biswajit, Besra, Shila Elizabeth, Dewanjee, Saikat, Mukherjee, Alankar, Ojha, Probir Kumar, Kumar, Vinay, Sen, Ramkrishna

“…Site-specific delivery of chemotherapeutics specifically to neoplastic hepatocytes without affecting normal hepatocytes should be a focus for potential…”
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The current status of antimalarial drug research with special reference to application of QSAR models by Ojha, Probir Kumar, Roy, Kunal

“…Malaria, the most virulent parasitic disease, has become a devastating health problem in tropical and subtropical regions, especially in Africa, due to…”
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Exploring structural requirements for a class of nucleoside inhibitors (PfdUTPase) as antimalarials: first report on QSAR, pharmacophore mapping and multiple docking studies by Ojha, Probir Kumar, Roy, Kunal

“…Multi-drug resistance to the available antimalarial drugs is a major threat for malaria treatment. Due to the recent characterization of human and parasite…”
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Exploration of important sites of antimalarial Endochins for optimum structural modification using group-based QSAR (G-QSAR) modeling by Ojha, Probir Kumar, Roy, Kunal

“…The emergence of multidrug resistance of the currently available antimalarial drugs has led to the need of the discovery and development of new antimalarial…”
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Further exploring rm2 metrics for validation of QSPR models by Ojha, Probir Kumar, Mitra, Indrani, Das, Rudra Narayan, Roy, Kunal

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Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection by Ojha, Probir Kumar, Roy, Kunal

“…The emergence of multidrug resistance of the currently available antimalarial drugs has led to the need of the discovery and development of new antimalarial…”
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Development of a robust and validated 2D-QSPR model for sweetness potency of diverse functional organic molecules by Ojha, Probir Kumar, Roy, Kunal

“…In the present report, we have developed a predictive QSPR model using only easily computable two-dimensional (2D) descriptors from diverse classes of…”
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Chemometrics-driven prediction and prioritization of diverse pesticides on chickens for addressing hazardous effects on public health by Das, Shubha, Samal, Abhisek, Ojha, Probir Kumar

“…The extensive use of various pesticides in the agriculture field badly affects both chickens and humans, primarily through residues in food products and…”
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Hazards of antiviral contamination in water: Dissemination, fate, risk and their impact on fish by Choudhury, Abhigyan, Ojha, Probir Kumar, Ray, Sajal

“…Antiviral drugs are a cornerstone in the first line of antiviral therapy and their demand rises consistently with increments in viral infections and successive…”
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First report on regression-based QSAR addressing pesticide dissipation half-life in plants: A step towards sustainable public health by Kumar, Ankur, Ojha, Probir Kumar, Roy, Kunal

“…The excessive use of pesticides (an important group of chemicals) in the agricultural as well as public sectors raises a health concern. Pesticides affect…”
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Computational modeling of aquatic toxicity of polychlorinated naphthalenes (PCNs) employing 2D-QSAR and chemical read-across by Nath, Aniket, Ojha, Probir Kumar, Roy, Kunal

“…•Polychlorinated naphthalenes (PCNs) exhibit toxicities to the aquatic ecosystem and finally to humans.•We developed 2D-QSAR models employing 75 PCNs against…”
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Safer and greener chemicals for the aquatic ecosystem: Chemometric modeling of the prolonged and chronic aquatic toxicity of chemicals on Oryzias latipes by Kumar, Ankur, Ojha, Probir Kumar, Roy, Kunal

“…•Modeling of chronic aquatic toxicity of chemicals towards Oryzias latipes was performed.•The models were developed and validated as per the OECD…”
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