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Deep learning tools for advancing drug discovery and development

3 Biotech, 2022-05, Vol.12 (5), p.110-110, Article 110

2022

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Design, synthesis, and biological evaluation of Propargylated phenyl‐styryl‐pyrimidine derivatives as dual inhibitors of monoamine oxidase and acetylcholinesterase

Alzheimer's & dementia, 2023-12, Vol.19 (S21), p.n/a

2023

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Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease

Molecular diversity, 2024-04

2024

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Clinicopathological Analysis of Pancytopenia-A Tertiary Care Centre Study

JK science : journal of medical education and research, 2022-07, Vol.24 (3), p.167-171

2022

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Vulvar pyogenic granuloma: A rare location

IP Indian Journal of Clinical and Experimental Dermatology, 2020-12, Vol.4 (4), p.346-347

2020

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Synthesis, Biological Evaluation and in Silico Study of N‐(2‐ and 3‐Pyridinyl)benzamide Derivatives as Quorum Sensing Inhibitors against Pseudomonas aeruginosa

Chemistry & biodiversity, 2023-03, Vol.20 (3), p.e202201191-n/a

2023

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

Proteins, structure, function, and bioinformatics, 2023-02, Vol.91 (2), p.147-160

2023

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Synthesis and Evaluation of Antimicrobial Activity of N-Substituted Indole Derivatives and Molecular Docking Studies

Current organic chemistry, 2022-08, Vol.26 (16), p.1565-1574

2022

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Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer's disease

Journal of biomolecular structure & dynamics, 2024-01, Vol.42 (1), p.509-527

2024

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Iodine-PEG as a unique combination for the metal-free synthesis of flavonoids through iodonium-triiodide ion-pair complexation

RSC advances, 2024-02, Vol.14 (9), p.6225-6233

2024

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Phenylstyrylpyrimidine derivatives as potential multipotent therapeutics for Alzheimer's disease

RSC medicinal chemistry, 2024-08, Vol.15 (8), p.2922-2936

2024

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Identification of potential inhibitors of brain-specific CYP46A1 from phytoconstituents in Indian traditional medicinal plants

Journal of proteins and proteomics, 2022-11, Vol.13 (4), p.227-245

2022

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Molecular characterization of glutor-GLUT interaction and prediction of glutor's drug-likeness: implications for its utility as an antineoplastic agent

Journal of biomolecular structure & dynamics, 2023-12, Vol.ahead-of-print (ahead-of-print), p.1-12

2023

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Design, synthesis, biological evaluation and in silico studies of N-(pyridin-2-yl)-benzamides derivatives as quorum sensing inhibitors

Journal of the Indian Chemical Society, 2023-09, Vol.100 (9), p.101082, Article 101082

2023

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Discovery of Small‐Molecules as Potential GSK‐3β Inhibitors for the Treatment of Alzheimer's Disease Using Pharmacophore‐Based Virtual Screening

ChemistrySelect (Weinheim), 2024-04, Vol.9 (15), p.n/a

2024

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Catalyzing a Cure: Discovery and development of LRRK2 inhibitors for the treatment of Parkinson’s disease

Bioorganic chemistry, 2024-02, Vol.143, p.106972-106972, Article 106972

2024

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FNAC of Salivary Gland Lesions - A Hospital Based Study

JK science : journal of medical education and research, 2018-10, Vol.20 (4), p.177-180

2018

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Synthesis, single crystal X-ray, DFT, spectroscopic, molecular docking studies and in vitro biological evaluation of compound N-benzyl-4-(4-chlorophenyl)-2-oxobutanamide

Journal of molecular structure, 2023-03, Vol.1276, p.134782, Article 134782

2023

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

Molecular diversity, 2024-04, Vol.28 (2), p.649-669

2024

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

Molecular diversity, 2023-04

2023

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In Vitro and In Vivo Investigations of Chromone Derivatives as Potential Multitarget-Directed Ligands: Cognitive Amelioration Utilizing a Scopolamine-Induced Zebrafish Model

ACS chemical neuroscience, 2024-07, Vol.15 (14), p.2565-2585

2024

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A Comparative Study to Assess and Compare the Clinical Epidemiological Profile, Treatment Seeking Behaviour Related Pathways, and Treatment Cost Among Women With Carcinoma Breast vs. Cervix Attending Radiotherapy OPD PGIMER, Chandigarh, 2017–2019

Devi, Bharti

2019

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Cytomorphological Pattern of Breast Lesions Diagnosed on Fine Needle Aspiration Cytology in a Teritary Care Hospital

JK science : journal of medical education and research, 2018-04, Vol.20 (2), p.57

2018

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

ACS chemical neuroscience, 2023-02, Vol.14 (4), p.749-765

2023

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A study of Association of Blood Groups with Anemia in healthy Young Adults

Indian journal of public health research and development., 2022-06, Vol.13 (3), p.254-260

2022

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Deep learning tools for advancing drug discovery and development

Design, synthesis, and biological evaluation of Propargylated phenyl‐styryl‐pyrimidine derivatives as dual inhibitors of monoamine oxidase and acetylcholinesterase

Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease

Clinicopathological Analysis of Pancytopenia-A Tertiary Care Centre Study

Vulvar pyogenic granuloma: A rare location

Synthesis, Biological Evaluation and in Silico Study of N‐(2‐ and 3‐Pyridinyl)benzamide Derivatives as Quorum Sensing Inhibitors against Pseudomonas aeruginosa

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

Synthesis and Evaluation of Antimicrobial Activity of N-Substituted Indole Derivatives and Molecular Docking Studies

Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer's disease

Iodine-PEG as a unique combination for the metal-free synthesis of flavonoids through iodonium-triiodide ion-pair complexation

Phenylstyrylpyrimidine derivatives as potential multipotent therapeutics for Alzheimer's disease

Identification of potential inhibitors of brain-specific CYP46A1 from phytoconstituents in Indian traditional medicinal plants

Molecular characterization of glutor-GLUT interaction and prediction of glutor's drug-likeness: implications for its utility as an antineoplastic agent

Design, synthesis, biological evaluation and in silico studies of N-(pyridin-2-yl)-benzamides derivatives as quorum sensing inhibitors

Discovery of Small‐Molecules as Potential GSK‐3β Inhibitors for the Treatment of Alzheimer's Disease Using Pharmacophore‐Based Virtual Screening

Catalyzing a Cure: Discovery and development of LRRK2 inhibitors for the treatment of Parkinson’s disease

FNAC of Salivary Gland Lesions - A Hospital Based Study

Synthesis, single crystal X-ray, DFT, spectroscopic, molecular docking studies and in vitro biological evaluation of compound N-benzyl-4-(4-chlorophenyl)-2-oxobutanamide

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

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

In Vitro and In Vivo Investigations of Chromone Derivatives as Potential Multitarget-Directed Ligands: Cognitive Amelioration Utilizing a Scopolamine-Induced Zebrafish Model

A Comparative Study to Assess and Compare the Clinical Epidemiological Profile, Treatment Seeking Behaviour Related Pathways, and Treatment Cost Among Women With Carcinoma Breast vs. Cervix Attending Radiotherapy OPD PGIMER, Chandigarh, 2017–2019

Cytomorphological Pattern of Breast Lesions Diagnosed on Fine Needle Aspiration Cytology in a Teritary Care Hospital

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

A study of Association of Blood Groups with Anemia in healthy Young Adults

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