N. Subbarao

发表

Analysis of oligomeric proteins during unfolding by pH and temperature

Pradip K Bhattacharya, T. Ganeshan, Soumiyadeep Nandi, 2009, Journal of molecular modeling.

Envelope proteins as antiviral drug target

N. Subbarao, J. Verma, M. S. Rajala, 2020, Journal of drug targeting.

In silico identification of inhibitors against Plasmodium falciparum histone deacetylase 1 (PfHDAC-1)

N. Subbarao, S. Dhar, Amarjeet Kumar, 2018, Journal of Molecular Modeling.

In silico study directed towards identification of novel high-affinity inhibitors targeting an oncogenic protein: BRD4-BD1

N. Subbarao, R. Tumdam, A. Kumar, 2018, SAR and QSAR in environmental research.

Analyzing the role of CagV, a VirB8 homolog of the type IV secretion system of Helicobacter pylori

N. Subbarao, R. K. Tyagi, Amarjeet Kumar, 2017, FEBS open bio.

3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum

N. Subbarao, Madhulata Kumari, S. Chandra, 2016, BMC Structural Biology.

High Throughput Virtual Screening to Identify Novel natural product Inhibitors for MethionyltRNA-Synthetase of Brucella melitensis

N. Subbarao, Madhulata Kumari, S. Chandra, 2017, Bioinformation.

Genome-wide expression reveals potential biomarkers in breast cancer bone metastasis

Quincy A. Hathaway, N. Subbarao, A. Jaimini, 2022, J. Integr. Bioinform..

Virtual screening to identify novel potential inhibitors for Glutamine synthetase of Mycobacterium tuberculosis

N. Subbarao, Madhulata Kumari, 2019, Journal of biomolecular structure & dynamics.

Ligand binding strategies of human serum albumin: how can the cargo be utilized?

N. Subbarao, Ejaz Ahmad, R. H. Khan, 2010, Chirality.

Transcription regulation of nuclear receptor PXR: Role of SUMO-1 modification and NDSM in receptor function

N. Subbarao, R. K. Tyagi, Deepak Kotiya, 2016, Molecular and Cellular Endocrinology.

Biochemical Analysis of CagE: A VirB4 Homologue of Helicobacter pylori Cag-T4SS

N. Subbarao, Amarjeet Kumar, M. Shariq, 2015, PloS one.

Homology modelling of a sensor histidine kinase from Aeromonas hydrophila

Sunil Kumar, N. Subbarao, D. Singh, 2010, Journal of molecular modeling.

Designing and synthesis of novel antimicrobial heterocyclic analogs of fatty acids.

Asad U. Khan, N. Subbarao, A. Ahmad, 2013, European journal of medicinal chemistry.

Construct validity maps and the NIRF 2019 ranking of colleges

N. Subbarao, Abhishek Negi, Devesh Raizada, 2019 .

In Silico Analysis of Conformational Changes Induced by Normal and Mutation of Macrophage Infectivity Potentiator Catalytic Residues and its Interactions with Rapamycin

N. Subbarao, Ramachandran Vijayan, N. Manoharan, 2015, Interdisciplinary Sciences: Computational Life Sciences.

Elimination of Endogenous Toxin, Creatinine from Blood Plasma Depends on Albumin Conformation: Site Specific Uremic Toxicity & Impaired Drug Binding

N. Subbarao, R. H. Khan, G. Rabbani, 2011, PloS one.

A genetic programming-based approach to identify potential inhibitors of serine protease of Mycobacterium tuberculosis.

N. Subbarao, Madhulata Kumari, Neeraj Tiwari, 2020, Future medicinal chemistry.

Exploring the Modulatory Effect of Albumin on Calcium Phosphate Crystallization

Priyadarshini, N. Subbarao, Abhishek Negi, 2019, Current Science.

In-silico prediction of potential inhibitors against phosphatidylinositol 3-kinase catalytic subunit alpha involved in head and neck squamous cell carcinomas

N. Subbarao, G. Madhukar, 2020, Journal of biomolecular structure & dynamics.

In silico Modeling of 1A-Adrenoceptor: Interaction of its Normal and Mutated Active Sites with Noradrenaline as well as its Agonist and Antagonist

R. Vijayan, N. Subbarao, B. Mallick, 2007 .

Correction: In Silico Screening for Novel Inhibitors of DNA Polymerase III Alpha Subunit of Mycobacterium tuberculosis (MtbDnaE2, H37Rv)

N. Subbarao, A. Dixit, Alka Jadaun, 2015, PloS one.

Estimation of a stronger heparin binding locus in fibronectin domain III14 using thermodynamics and molecular dynamics

Sakshi Gupta, N. Subbarao, N. Tiwari, 2020, RSC advances.

Virtual Screening, Identification and In Vitro Testing of Novel Inhibitors of O-Acetyl-L-Serine Sulfhydrylase of Entamoeba histolytica

N. Subbarao, S. Gourinath, I. Raj, 2012, PloS one.

Biophysical insight into the anti-amyloidogenic behavior of taurine.

P. Alam, N. Subbarao, R. H. Khan, 2015, International journal of biological macromolecules.

In Silico Screening for Novel Inhibitors of DNA Polymerase III Alpha Subunit of Mycobacterium tuberculosis (MtbDnaE2, H37Rv)

N. Subbarao, A. Dixit, Alka Jadaun, 2015, PloS one.

Designing dual inhibitors against potential drug targets of Plasmodium falciparum -M17 Leucyl Aminopeptidase and Plasmepsins

N. Subbarao, Aakriti Jain, Manish Kumar, 2022, Journal of biomolecular structure & dynamics.

Dynamic interaction between lysozyme and ceftazidime: Experimental and molecular simulation approaches

N. Subbarao, H. Al‐Lohedan, M. Waseem, 2021 .

Identification of novel inhibitors against UDP‐galactopyranose mutase to combat leishmaniasis

N. Subbarao, Y. Akhter, M. Kashif, 2018, Journal of cellular biochemistry.

Designing novel inhibitors against cyclopropane mycolic acid synthase 3 (PcaA): targeting dormant state of Mycobacterium tuberculosis

N. Subbarao, J. Verma, 2020, Journal of biomolecular structure & dynamics.

Computational molecular interaction between SARS-CoV-2 main protease and theaflavin digallate using free energy perturbation and molecular dynamics

N. Subbarao, Smriti Mishra, M. Manish, 2022, Computers in Biology and Medicine.

Prediction of novel and potent inhibitors of lanosterol 14-α demethylase

N. Subbarao, J. Thakur, M. Waseem, 2022, Journal of biomolecular structure & dynamics.

In silico identification and in vitro antiviral validation of potential inhibitors against Chikungunya virus

N. Subbarao, S. Sunil, J. Verma, 2022, Journal of Computer-Aided Molecular Design.

Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding fr

N. Subbarao, Madhulata Kumari, Ruhar Singh, 2021, Journal of biomolecular structure & dynamics.

Identification of novel multitarget antitubercular inhibitors against mycobacterial peptidoglycan biosynthetic Mur enzymes by structure-based virtual screening

N. Subbarao, Madhulata Kumari, 2021, Journal of biomolecular structure & dynamics.

The tetrameric structure of Plasmodium falciparum phosphoglycerate mutase is critical for optimal enzymatic activity

N. Subbarao, S. Dhar, Amarjeet Kumar, 2022, The Journal of biological chemistry.

Stress-induced nuclear depletion of Entamoeba histolytica 3′-5′ exoribonuclease EhRrp6 and its role in growth and erythrophagocytosis

N. Subbarao, A. K. Ray, A. Bhattacharya, 2018, The Journal of Biological Chemistry.

Allosteric inhibition of topoisomerase I by pinostrobin: Molecular docking, spectroscopic and topoisomerase I activity studies.

N. Subbarao, A. Dixit, Alka Jadaun, 2017, Journal of photochemistry and photobiology. B, Biology.

Designing, synthesis, and antimicrobial action of oxazoline and thiazoline derivatives of fatty acid esters

Asad U. Khan, N. Subbarao, A. Ahmad, 2017, Journal of biomolecular structure & dynamics.

Interaction of biocompatible natural rosin-based surfactants with human serum albumin: A biophysical study

N. Subbarao, R. H. Khan, H. Al‐Lohedan, 2015 .

Biophysical insight into furosemide binding to human serum albumin: a study to unveil its impaired albumin binding in uremia.

N. Subbarao, Ejaz Ahmad, R. H. Khan, 2013, The journal of physical chemistry. B.

Calorimetric, spectroscopic and molecular modelling insight into the interaction of gallic acid with bovine serum albumin

N. Subbarao, Amarjeet Kumar, S. Khatun, 2018, The Journal of Chemical Thermodynamics.

Interaction of mitoxantrone with human serum albumin: spectroscopic and molecular modeling studies.

Asad U. Khan, R. Yennamalli, N. Subbarao, 2008, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Stereo-Selectivity of Human Serum Albumin to Enantiomeric and Isoelectronic Pollutants Dissected by Spectroscopy, Calorimetry and Bioinformatics

R. Bhat, N. Subbarao, Ejaz Ahmad, 2011, PloS one.

Structural and Biochemical Studies of Serine Acetyltransferase Reveal Why the Parasite Entamoeba histolytica Cannot Form a Cysteine Synthase Complex*

N. Subbarao, S. Gourinath, I. Raj, 2011, The Journal of Biological Chemistry.

Noncovalent molecular interactions between antineoplastic drug gemcitabine and a carrier protein identified through spectroscopic and in silico methods.

N. Subbarao, H. Al‐Lohedan, M. Waseem, 2021, International journal of biological macromolecules.

Polycomb repressive complex 2 inhibitors: emerging epigenetic modulators.

Danishuddin, N. Subbarao, M. Faheem, 2019, Drug discovery today.

In Silico Screening, Genotyping, Molecular Dynamics Simulation and Activity Studies of SNPs in Pyruvate Kinase M2

N. Subbarao, R. Bamezai, B. Kumar, 2015, PloS one.

Discovery of multi-target mur enzymes inhibitors with anti-mycobacterial activity through a Scaffold approach

N. Subbarao, M. Waseem, Madhulata Kumari, 2022, Journal of biomolecular structure & dynamics.

Interaction of the recently approved anticancer drug nintedanib with human acute phase reactant α 1-acid glycoprotein

N. Subbarao, R. H. Khan, M. Ajmal, 2016 .

In vivo anti-inflammatory activity and docking study of newly synthesized benzimidazole derivatives bearing oxadiazole and morpholine rings.

N. Subbarao, M. Yar, Ankita Rathore, 2017, Bioorganic chemistry.

Design, synthesis of allosteric peptide activator for human SIRT1 and its biological evaluation in cellular model of Alzheimer's disease.

Amrendra P. Singh, S. Dey, N. Subbarao, 2017, European journal of medicinal chemistry.

The Rational Design of Specific Peptide Inhibitor against p38α MAPK at Allosteric-Site: A Therapeutic Modality for HNSCC

S. Dey, N. Subbarao, S. S. Chauhan, 2014, PloS one.

Molecular Analysis and Modeling of Hepatitis E Virus Helicase and Identification of Novel Inhibitors by Virtual Screening

N. Subbarao, M. Parvez, 2018, BioMed research international.

A hybrid resampling algorithms SMOTE and ENN based deep learning models for identification of Marburg virus inhibitors.

N. Subbarao, Madhulata Kumari, 2022, Future medicinal chemistry.

A comparative study of human betacoronavirus spike proteins: structure, function and therapeutics

N. Subbarao, J. Verma, 2021, Archives of Virology.

Predictive inference on cytoplasmic and mitochondrial thioredoxin peroxidases in the highly radioresistant Lepidopteran insect Spodoptera frugiperda

S. Chandna, R. Yennamalli, N. Subbarao, 2010, Bioinformation.

Entamoeba histolytica HM-1: IMSS gene expression profiling identifies key hub genes, potential biomarkers, and pathways in Amoebiasis infection: a systematic network meta-analysis

N. Subbarao, M. Malik, Ram Nayan Verma, 2022, Bioscience reports.

Identification of key proteins in host-pathogen interactions between Mycobacterium tuberculosis and Homo sapiens: A systematic network theoretical approach

G. Singh, N. Subbarao, M. Malik, 2022, Healthcare Analytics.

Structural insight into antibody evasion of SARS-CoV-2 omicron variant

N. Subbarao, J. Verma, 2022, bioRxiv.

Insight into the Effect of Inhibitor Resistant S130G Mutant on Physico-Chemical Properties of SHV Type Beta-Lactamase: A Molecular Dynamics Study

Asad U. Khan, N. Subbarao, M. Lohani, 2014, PloS one.

Insilico study on the effect of SARS-CoV-2 RBD hotspot mutants’ interaction with ACE2 to understand the binding affinity and stability

N. Subbarao, J. Verma, 2021, Virology.

Enhancement in the Catalytic Activity of Human Salivary Aldehyde Dehydrogenase by Alliin from Garlic: Implications in Aldehyde Toxicity and Oral Health.

N. Subbarao, H. Younus, A. A. Laskar, 2019, Current pharmaceutical biotechnology.

Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitors

Naidu Subbarao, Preyesh Stephen, Ramachandran Vijayan, 2007, 2007 IEEE/NIH Life Science Systems and Applications Workshop.

Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases

N. Subbarao, Madhulata Kumari, 2021, Computers in Biology and Medicine.

Development and rigorous validation of antimalarial predictive models using machine learning approaches

G Madhukar, Danishuddin, M Z Malik, 2019, SAR and QSAR in environmental research.

Functional dissection of proliferating-cell nuclear antigens (1 and 2) in human malarial parasite Plasmodium falciparum: possible involvement in DNA replication and DNA damage response.

N. Subbarao, S. Dhar, Pallabi Mitra, 2015, The Biochemical journal.

CID-6033590 inhibits p38MAPK pathway and induces S-phase cell cycle arrest and apoptosis in DU145 and PC-3 cells.

N. Mondal, N. Subbarao, S. Senapati, 2019, Toxicology in vitro : an international journal published in association with BIBRA.

Y12F mutation in Pseudomonas plecoglossicida S7 lipase enhances its thermal and pH stability for industrial applications: a combination of in silico and in vitro study

Sunil Kumar, N. Subbarao, S. Srivastava, 2023, World Journal of Microbiology and Biotechnology.

DNA binding activity of Helicobacter pylori DnaB helicase: the role of the N‐terminal domain in modulating DNA binding activities

N. Subbarao, S. Dasgupta, S. Dhar, 2012, The FEBS journal.

A new fuzzy support vector machine with pinball loss

N. Subbarao, Ram Nayan Verma, Gajendra Pratap Singh, 2023, Discover Artificial Intelligence.

In-silico modeling of a novel OXA-51 from β-lactam-resistant Acinetobacter baumannii and its interaction with various antibiotics

N. Subbarao, Vishvanath Tiwari, R. Moganty, 2012, Journal of Molecular Modeling.

Vitamin derivatives as potential drugs for Influenza Hemagglutinin

N. Subbarao, V. Yadav, Pratibha Chanana, 2023, Journal of biomolecular structure & dynamics.

Identification of novel target sites and an inhibitor of the dengue virus E protein

Paul R. Young, Bostjan Kobe, Naidu Subbarao, 2009, J. Comput. Aided Mol. Des..

Design and in vitro analysis of SIRT2 inhibitor targeting Parkinson’s disease

Amrendra P. Singh, S. Dey, N. Subbarao, 2020, Molecular Diversity.

Potential inhibitors of RPS6KB2 and NRF2 in head and neck squamous cell carcinoma

N. Subbarao, G. Madhukar, 2023, Journal of biomolecular structure & dynamics.

Characterization of doxorubicin binding site and drug induced alteration in the functionally important structural state of oxyhemoglobin.

Asad U. Khan, R. Yennamalli, N. Subbarao, 2008, Journal of pharmaceutical and biomedical analysis.

Development of peptide inhibitor as a therapeutic agent against head and neck squamous cell carcinoma (HNSCC) targeting p38alpha MAP kinase.

S. Dey, N. Subbarao, Satya N. Das, 2013, Biochimica et biophysica acta.

Bacterial‐induced expression of RAB18 protein in Orzya sativa salinity stress and insights into molecular interaction with GTP ligand

A. Squartini, G. Sablok, Sunil Kumar, 2014, Journal of molecular recognition : JMR.

Structure-based screening of inhibitors against KPC-2: designing potential drug candidates against multidrug-resistant bacteria

Asad U. Khan, N. Subbarao, M. Faheem, 2014, Journal of biomolecular structure & dynamics.

Thermodynamics, molecular modelling and denaturation studies on exploring the binding mechanism of tetramethylpyrazine with human serum albumin

N. Subbarao, Amarjeet Kumar, S. Khatun, 2020 .

Exploring the Molecular Level Interaction of Human Serum Albumin with Calcium Oxalate Monohydrate Crystals.

Priyadarshini, N. Subbarao, Abhishek Negi, 2021, Protein and peptide letters.

Novel inhibitors designing against the potential drug target of Plasmodium falciparum M17 Leucyl Aminopeptidase – PfM17LAP

N. Subbarao, Manish Kumar, Govinda Rao Dabburu, 2021, bioRxiv.

Using SMOTE to Deal with Class-Imbalance Problem in Bioactivity Data to Predict mTOR Inhibitors

Muhammad Abulaish, Naidu Subbarao, Chetna Kumari, 2020, SN Computer Science.

Identification of potential novel inhibitors against glutamine synthetase enzyme of Leishmania major by using computational tools

N. Subbarao, M. Kashif, 2023, Journal of biomolecular structure & dynamics.

Refinement of Draft Genome Assemblies of Pigeonpea (Cajanus cajan)

S. K. Singh, N. Subbarao, A. Gupta, 2020, bioRxiv.

In Silico Analysis of Conformational Changes Induced by Normal and Mutation of Macrophage Infectivity Potentiator Catalytic Residues and its Interactions with Rapamycin

N. Subbarao, Ramachandran Vijayan, N. Manoharan, 2015, Interdisciplinary Sciences Computational Life Sciences.

Role of tyrosine residue (Y213) in nuclear retention of PCNA1 in human malaria parasite Plasmodium falciparum

N. Subbarao, S. Dhar, Pallabi Mitra, 2018, FEMS microbiology letters.

Molecular simulation of Tyr105 phosphorylated pyruvate kinase M2 to understand its structure and dynamics

N. Subbarao, R. Bamezai, P. Kalaiarasan, 2014, Journal of Molecular Modeling.

Docking and molecular dynamics simulation study of EGFR1 with EGF-like peptides to understand molecular interactions.

N. Subbarao, K. P., D. Sudhakar, 2016, Molecular bioSystems.

Diagnostic Significance of p38 Isoforms (p38α, p38β, p38γ, p38δ) in Head and Neck Squamous Cell Carcinoma: Comparative Serum Level Evaluation and Design of Novel Peptide Inhibitor Targeting the Same

S. Dey, N. Subbarao, S. Shekhar, 2018, Cancer research and treatment : official journal of Korean Cancer Association.

Designing novel inhibitors against histone acetyltransferase (HAT: GCN5) of Plasmodium falciparum.

Naidu Subbarao, Suman Kumar Dhar, N. Mondal, 2017, European journal of medicinal chemistry.

Exploring Molecular Descriptors and Fingerprints to Predict mTOR Kinase Inhibitors using Machine Learning Techniques

Muhammad Abulaish, Naidu Subbarao, Chetna Kumari, 2020, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

In silico analysis of Diosmetin as an effective chemopreventive agent against prostate cancer: molecular docking, validation, dynamic simulation and pharmacokinetic prediction-based studies.

N. Subbarao, Sumit Sheoran, Sugunakar Vuree, 2023, Journal of Biomolecular Structure and Dynamics.

Biophysical insight into furosemide binding to human serum albumin: a study to unveil its impaired albumin binding in uremia.

N. Subbarao, Ejaz Ahmad, R. H. Khan, 2013, The journal of physical chemistry. B.

Predicting JNK1 Inhibitors Regulating Autophagy in Cancer using Random Forest Classifier

N. Subbarao, M. Abulaish, Chetna Kumari, 2018, bioRxiv.

Probing the interaction of cephalosporin antibiotic “cefoperazone” with lysozyme using spectroscopic and in silico methods: Effect of paracetamol on binding

N. Subbarao, M. Waseem, Mohd. Sajid Ali, 2023, International Journal of Biological Macromolecules.

Insilico screening to identify novel inhibitors targeting 30S ribosomal protein S12 in meningitis-causing organism 'Elizabethkingia meningoseptica'.

A. Krishnamachari, N. Subbarao, Neha Girdhar, 2024, Journal of biomolecular structure & dynamics.

Identification of conserved immunogenic peptides of SARS-CoV-2 nucleocapsid protein.

N. Subbarao, Jigyasa Verma, A. Rizvanov, 2023, Journal of biomolecular structure & dynamics.

In silico identification of small molecule protein-protein interaction inhibitors: targeting hotspot regions at the interface of MXRA8 and CHIKV envelope protein

N. Subbarao, J. Verma, 2022, Journal of biomolecular structure & dynamics.

In silico identification of colchicine derivatives as novel and potential inhibitors based on molecular docking and dynamic simulations targeting multifactorial drug targets involved in Alzheimer's disease.

N. Subbarao, Nasimul Hoda, S. A. Chaudhry, 2023, Journal of biomolecular structure & dynamics.