Author

Prajwal P. Nandekar

Observed names: Prajwal Nandekar, Prajwal P Nandekar, Prajwal Prabhakarrao Nandekar

Institution: Purdue University West Lafayette

Observed institutions: University of Minnesota, Purdue University West Lafayette, Heidelberg University, University of Minnesota System, National Institute of Pharmaceutical Education and Research, National Institute of Pharmaceutical Education and Research, National Institute of Pharmaceutical Education and Research, DKFZ-ZMBH Alliance, National Institute of Pharmaceutical Education and Research, National Institute of Pharmaceutical Education and Research, National Institute of Pharmaceutical Education and Research, Heidelberg Institute for Theoretical Studies

ORCID: 0000-0003-0210-9301

Observed ORCID: 0000-0003-0210-9301

OpenAlex ID: A5022230930

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

2023 · Yuqi Zhang, Marton Vass, et al. · Journal of Chemical Information and Modeling · 133

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Impact of Crystal Habit on Biopharmaceutical Performance of Celecoxib

2013 · Sameer R. Modi, Ajay K. R. Dantuluri, et al. · Crystal Growth & Design · 100

An electron transfer competent structural ensemble of membrane-bound cytochrome P450 1A1 and cytochrome P450 oxidoreductase

2021 · Goutam Mukherjee, Prajwal P. Nandekar, et al. · Communications Biology · 60

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Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA

2016 · Vishnu K. Sharma, Prajwal P. Nandekar, et al. · RSC Advances · 60

Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

2014 · Inderjit S. Yadav, Prajwal P. Nandekar, et al. · Gene · 60

Influence of Transmembrane Helix Mutations on Cytochrome P450-Membrane Interactions and Function

2019 · Ghulam Mustafa, Prajwal P. Nandekar, et al. · Biophysical Journal · 45

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Inter-subunit interactions drive divergent dynamics in mammalian and Plasmodium actin filaments

2018 · Ross G. Douglas, Prajwal Nandekar, et al. · PLoS Biology · 43

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Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approach

2022 · Subhash M. Agarwal, Prajwal Nandekar, et al. · RSC Advances · 35

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The Effect of Force-Field Parameters on Cytochrome P450-Membrane Interactions: Structure and Dynamics

2020 · Ghulam Mustafa, Prajwal P. Nandekar, et al. · Scientific Reports · 29

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An ecofriendly synthesis and DNA binding interaction study of some pyrazolo [1,5-a]pyrimidines derivatives

2012 · Santosh S. Chobe, Bhaskar S. Dawane, et al. · Bioorganic & Medicinal Chemistry Letters · 27

On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer

2015 · Ghulam Mustafa, Prajwal P. Nandekar, et al. · The Journal of Chemical Physics · 24

Plasma protein binding, pharmacokinetics, tissue distribution and CYP450 biotransformation studies of fidarestat by ultra high performance liquid chromatography–high resolution mass spectrometry

2014 · Roshan M. Borkar, Murali Mohan Bhandi, et al. · Journal of Pharmaceutical and Biomedical Analysis · 24

Cytochrome P450 1A1-mediated anticancer drug discovery:in silicofindings

2012 · Prajwal P Nandekar, Abhay T Sangamwar · Expert Opinion on Drug Discovery · 24

Ligand tunnels in T. brucei and human CYP51: Insights for parasite-specific drug design

2015 · Xiaofeng Yu, Prajwal Nandekar, et al. · Biochimica et Biophysica Acta (BBA) - General Subjects · 23

Characterization of differences in substrate specificity among CYP1A1, CYP1A2 and CYP1B1: an integrated approach employing molecular docking and molecular dynamics simulations

2016 · Siddharth S. Kesharwani, Prajwal P. Nandekar, et al. · Journal of Molecular Recognition · 21

Pregnane X Receptor and P-glycoprotein: a connexion for Alzheimer’s disease management

2014 · Sumit Jain, Vijay Rathod, et al. · Molecular Diversity · 21

Characterization of forced degradation products of ketorolac tromethamine using LC/ESI/Q/TOF/MS/MS and in silico toxicity prediction

2014 · Pradipbhai D. Kalariya, B. Raju, et al. · Journal of Mass Spectrometry · 20

Mechanistic Insights into PEPT1-Mediated Transport of a Novel Antiepileptic, NP-647

2012 · Kailas S. Khomane, Prajwal P. Nandekar, et al. · Molecular Pharmaceutics · 20

Chem-bioinformatics and in vitro approaches for candidate optimization: a case study of NSC745689 as a promising antitumor agent

2012 · Prajwal P. Nandekar, Khaled M. Tumbi, et al. · Medicinal Chemistry Research · 19

Predicting drug metabolism by CYP1A1, CYP1A2, and CYP1B1: insights from MetaSite, molecular docking and quantum chemical calculations

2014 · Preeti Pragyan, Siddharth S. Kesharwani, et al. · Molecular Diversity · 18

Synthesis of CNS active thyrotropin-releasing hormone (TRH)-like peptides: Biological evaluation and effect on cognitive impairment induced by cerebral ischemia in mice

2015 · Chhuttan L. Meena, Avinash Thakur, et al. · Bioorganic & Medicinal Chemistry · 17

Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19

2019 · Ghulam Mustafa, Prajwal P. Nandekar, et al. · International Journal of Molecular Sciences · 16

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Mechanistic insights into the selective targeting of P2X3 receptor by camlipixant antagonist

2024 · Trung Thach, KanagaVijayan Dhanabalan, et al. · Journal of Biological Chemistry · 13

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Synthesis and biology of ring-modified l-Histidine containing thyrotropin-releasing hormone (TRH) analogues

2016 · Chhuttan L. Meena, Avinash Thakur, et al. · European Journal of Medicinal Chemistry · 13

Human pregnane X receptor: a novel target for anticancer drug development

2013 · Vijay Rathod, Sumit Jain, et al. · Drug Discovery Today · 13

Works count: 38

Citation count: 954

H-index: 19

I10-index: 30