نتائج البحث - "Anurag T. K Baidya"

1

Academic Journal

Repurposing Duloxetine as a Potent Butyrylcholinesterase Inhibitor: Potential Cholinergic Enhancing Benefits for Elderly Individuals with Depression and Cognitive Impairment

المؤلفون: Taher Darreh-Shori, Anurag T. K. Baidya, Medea Brouwer, Amit Kumar, Rajnish Kumar

المصدر: ACS Omega, Vol 9, Iss 35, Pp 37299-37309 (2024)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2470-1343

URL الوصول: https://doaj.org/article/9087e7012bd14f7abd19c7b6eef60133

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2

Academic Journal

Micellar Choline-Acetyltransferase Complexes Exhibit Ultra-Boosted Catalytic Rate for Acetylcholine Synthesis—Mechanistic Insights for Development of Acetylcholine-Enhancing Micellar Nanotherapeutics

المؤلفون: Davide Dante, Jatin Jangra, Anurag T. K. Baidya, Rajnish Kumar, Taher Darreh-Shori

المصدر: International Journal of Molecular Sciences ; Volume 25 ; Issue 24 ; Pages: 13602

مصطلحات موضوعية: cholinergic signaling, choline-acetyltransferase (ChAT), acetylcholine (ACh), catalytic rate, acetylcholinesterase (AChE), non-ionic surfactants/detergents, Triton X-100, Tween 20, critical micelle concentration (CMC), ChAT–micelle nanoparticles

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Biochemistry; https://dx.doi.org/10.3390/ijms252413602

الاتاحة: https://doi.org/10.3390/ijms252413602

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3

Academic Journal

Design, synthesis, biological evaluations and in silico studies of N-substituted 2,4-thiazolidinedione derivatives as potential a-glucosidase inhibitors

المؤلفون: Lalita Dahiya, Rajiv Kumar, Anurag T. K. Baidya, Sunil Kumar, Rajnish Kumar, Sandip V. Pawar, Ashok Kumar Yadav

مصطلحات موضوعية: Biochemistry, Medicine, Pharmacology, Cancer, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Diabetes mellitus, synthesis, biological evaluation, α-Glucosidase inhibitors, 2,4-thiazolidinone

Relation: https://figshare.com/articles/journal_contribution/Design_synthesis_biological_evaluations_and_in_silico_studies_of_N-substituted_2_4-thiazolidinedione_derivatives_as_potential_a-glucosidase_inhibitors/24788265

الاتاحة: https://doi.org/10.6084/m9.figshare.24788265.v1
https://figshare.com/articles/journal_contribution/Design_synthesis_biological_evaluations_and_in_silico_studies_of_N-substituted_2_4-thiazolidinedione_derivatives_as_potential_a-glucosidase_inhibitors/24788265

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4

Mechanistic Insight into the Inhibition of Choline Acetyltransferase by Proton Pump Inhibitors

المؤلفون: Anurag T. K. Baidya, Bhanuranjan Das, Bharti Devi, Bengt Långström, Hans Ågren, Taher Darreh-Shori, Rajnish Kumar

المصدر: ACS Chemical Neuroscience. 14:749-765

مصطلحات موضوعية: Physiology, Cognitive Neuroscience, Cell Biology, General Medicine, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::fd39cad7d18a55a435106d93c5e9fd01
https://doi.org/10.1021/acschemneuro.2c00738

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5

Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study

المؤلفون: Bhanuranjan Das, Alen T. Mathew, Anurag T. K. Baidya, Bharti Devi, Rahul Rampa Salmon, Rajnish Kumar

المصدر: Molecular Diversity.

مصطلحات موضوعية: Inorganic Chemistry, Organic Chemistry, Drug Discovery, General Medicine, Physical and Theoretical Chemistry, Molecular Biology, Catalysis, Information Systems

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0bea7f0cbf08a2e626dac3737079d89e
https://doi.org/10.1007/s11030-023-10645-3

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6

Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

المؤلفون: Bharti Devi, Sumukh Satyanarayana Vasishta, Bhanuranjan Das, Anurag T. K. Baidya, Rahul Salmon Rampa, Manoj Kumar Mahapatra, Rajnish Kumar

المصدر: Molecular Diversity.

مصطلحات موضوعية: Inorganic Chemistry, Organic Chemistry, Drug Discovery, General Medicine, Physical and Theoretical Chemistry, Molecular Biology, Catalysis, Information Systems

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::7086ac943a9190eeed6737a932cbcba2
https://doi.org/10.1007/s11030-023-10608-8

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7

N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study

المؤلفون: Alen T. Mathew, Anurag T. K. Baidya, Bhanuranjan Das, Bharti Devi, Rajnish Kumar

المصدر: ProteinsREFERENCES.

مصطلحات موضوعية: Structural Biology, Molecular Biology, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::600f4e9bded3da1438b78c615c9597c1
https://pubmed.ncbi.nlm.nih.gov/36029032

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8

Deep learning tools for advancing drug discovery and development

المؤلفون: Sagorika Nag, Anurag T. K. Baidya, Abhimanyu Mandal, Alen T. Mathew, Bhanuranjan Das, Bharti Devi, Rajnish Kumar

المصدر: 3 Biotech. 12(5)

مصطلحات موضوعية: Environmental Science (miscellaneous), Agricultural and Biological Sciences (miscellaneous), Biotechnology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17879d4028629fff5d524c921e73848e
https://pubmed.ncbi.nlm.nih.gov/35433167

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9

Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics

المؤلفون: Anurag T. K Baidya, Akhilesh, Rajnish Kumar, Vinod Tiwari, Bhanuranjan Das, Ankit Uniyal

المصدر: Journal of biomolecular structuredynamics.

مصطلحات موضوعية: Nervous system, Virtual screening, business.industry, Chronic pain, Sphingosine Kinase 2, General Medicine, Disease, Somatosensory system, Bioinformatics, medicine.disease, medicine.anatomical_structure, Structural Biology, Neuropathic pain, medicine, Identification (biology), business, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cb3b4e313742dc94402998adf0f98f9
https://pubmed.ncbi.nlm.nih.gov/34519252

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10

Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics

المؤلفون: Anindita Mondal Gantait, Shovanlal Gayen, Anurag T. K. Baidya, Dipayan Mondal, Kalyan Ghosh

المصدر: Toxicology Mechanisms and Methods. 30:257-265

مصطلحات موضوعية: 0303 health sciences, Quantitative structure–activity relationship, Computer science, Health, Toxicology and Mutagenesis, 030302 biochemistry & molecular biology, Monte Carlo method, In vivo toxicity, Computational biology, 010501 environmental sciences, Toxicology, 01 natural sciences, 03 medical and health sciences, Mathematics::Category Theory, Graph (abstract data type), Identification (biology), 0105 earth and related environmental sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::509bc40f3e378808e34a92e36177611a
https://doi.org/10.1080/15376516.2019.1709238

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11

In silico modelling, identification of crucial molecular fingerprints, and prediction of new possible substrates of human organic cationic transporters 1 and 2

المؤلفون: Jayabalan Nirmal, Tarun Jha, Kalyan Ghosh, Shovanlal Gayen, Nilanjan Adhikari, Anurag T. K. Baidya, Sk. Abdul Amin

المصدر: New Journal of Chemistry. 44:4129-4143

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a3e7afd39eff1b78d38b8ff6bea68f35
https://doi.org/10.1039/c9nj05825g

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12

Urea-thiazole/benzothiazole hybrids with a triazole linker: synthesis, antimicrobial potential, pharmacokinetic profile and in silico mechanistic studies

المؤلفون: Kashmiri Lal, Rajnish Kumar, Srikanta Sahu, Anurag T K Baidya, Ashwani Kumar, Nisha Poonia, Anil Kumar

المصدر: Molecular diversity. 26(5)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::241120060699e7c7b17f4c9efd3c0d7c
https://pubmed.ncbi.nlm.nih.gov/34671895

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13

Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics

المؤلفون: Akhilesh (11430647), Anurag T. K Baidya (11430650), Ankit Uniyal (10862282), Bhanuranjan Das (11430653), Rajnish Kumar (609557), Vinod Tiwari (120623)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Pharmacology, Biotechnology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Virtual screening, molecular dynamics simulation, sphingosine kinase 2, chronic pain, natural inhibitors

Relation: https://figshare.com/articles/dataset/Structure-based_virtual_screening_and_molecular_dynamics_simulation_for_the_identification_of_sphingosine_kinase-2_inhibitors_as_potential_analgesics/16616255

الاتاحة: https://doi.org/10.6084/m9.figshare.16616255.v1

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14

Identification of structural fingerprints for in vivo toxicity by using Monte Carlo based QSTR modeling of nitroaromatics

المؤلفون: Dipayan Mondal, Ghosh, Kalyan, Anurag T. K. Baidya, Anindita Mondal Gantait, Shovanlal Gayen

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87d113a2be66df93053fbbf40b476b2a

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15

Identification of structural fingerprints for

المؤلفون: Dipayan, Mondal, Kalyan, Ghosh, Anurag T K, Baidya, Anindita Mondal, Gantait, Shovanlal, Gayen

المصدر: Toxicology mechanisms and methods. 30(4)

مصطلحات موضوعية: Lethal Dose 50, Molecular Structure, Animals, Quantitative Structure-Activity Relationship, Nitro Compounds, Hydrocarbons, Aromatic, Monte Carlo Method, Rats

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::527989e2bc4622311597a986b2f490a4
https://pubmed.ncbi.nlm.nih.gov/31876230

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