Amresh Prakash

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Insilico study of the A2AR–D2R kinetics and interfacial contact surface for heteromerization

P. Luthra, Amresh Prakash, 2012, Amino Acids.

Modulation of macrophage defense responses by Mycobacterial persistence protein MprA (Rv0981) in human THP-1 cells: effect of single amino acid variation on host-pathogen interactions

K. Natarajan, Kausik Bhattacharyya, Shruti Jain, 2020, bioRxiv.

Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development

Aroni Chatterjee, P. Pandey, Rajni Khan, 2020, Journal of biomolecular structure & dynamics.

Targeting virus–host interaction by novel pyrimidine derivative: an in silico approach towards discovery of potential drug against COVID-19

Aroni Chatterjee, P. Pandey, Rajni Khan, 2020, Journal of biomolecular structure & dynamics.

Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational approach

C. B. Mishra, R. Mongre, R. Prasad, 2020, Briefings Bioinform..

Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors.

A. Lynn, Amresh Prakash, R. Srivastava, 2020, Journal of molecular graphics & modelling.

Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of Mycobacterium Tuberculosis

A. Lynn, Amresh Prakash, R. Srivastava, 2020, Journal of biomolecular structure & dynamics.

Computational Insights of Unfolding of N-Terminal Domain of TDP-43 Reveal the Conformational Heterogeneity in the Unfolding Pathway

R. V. Prasad, Ravi D. Sharma, Tara Kashav, 2022, Frontiers in Molecular Neuroscience.

Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches

Diwakar S. Kumar, Amresh Prakash, Rahul Jagadeesan, 2020, Infection, Genetics and Evolution.

Delineating the effect of mutations on the conformational dynamics of N-terminal domain of TDP-43.

Vijay Kumar, P. Pandey, Danish Idrees, 2019, Biophysical chemistry.

Characterization of heterogeneous intermediate ensembles on the guanidinium chloride-induced unfolding pathway of β-lactoglobulin

F. Ahmad, Vijay Kumar, A. Lynn, 2020, Journal of biomolecular structure & dynamics.

Elucidation of the structural stability and dynamics of heterogeneous intermediate ensembles in unfolding pathway of the N-terminal domain of TDP-43

Vijay Kumar, A. Lynn, N. Meena, 2018, RSC advances.

Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development

Aroni Chatterjee, P. Pandey, Rajni Khan, 2020, Journal of biomolecular structure & dynamics.

Arylcoumarin perturbs SARS-CoV-2 pathogenesis by targeting the S-protein/ACE2 interaction

A. K. Ajay, G. Tripathi, Rajni Khan, 2022, Scientific Reports.

Insights into the biased activity of dextromethorphan and haloperidol towards SARS-CoV-2 NSP6: in silico binding mechanistic analysis

Vijay Kumar, P. Pandey, Amresh Prakash, 2020, Journal of Molecular Medicine.

Genome-wide analysis of PTR transporters in Candida species and their functional characterization in Candida auris

R. V. Prasad, A. Lynn, A. Banerjee, 2022, Applied Microbiology and Biotechnology.

Intersection of network medicine and machine learning towards investigating the key biomarkers and pathways underlying amyotrophic lateral sclerosis: a systematic review

A. Lynn, Amresh Prakash, Kartikay Prasad, 2022, Briefings Bioinform..

Effect of Double Mutation (L452R and E484Q) on the Binding Affinity of Monoclonal Antibodies (mAbs) against the RBD—A Target for Vaccine Development

P. Kaur, R. Kumari, Amresh Prakash, 2022, Vaccines.

Mannose 2, 3, 4, 5, 6-O-pentasulfate (MPS): a partial activator of human heparin cofactor II with anticoagulation potential

A. Lynn, M. Abid, I. Ahmad, 2022, Journal of biomolecular structure & dynamics.

Identifying the Novel Inhibitors Against the Mycolic Acid Biosynthesis Pathway Target “mtFabH” of Mycobacterium tuberculosis

C. B. Mishra, Ashok Kumar, R. Mongre, 2022, Frontiers in Microbiology.

Molecular basis of structural stability of Irisin: A combined molecular dynamics simulation and in vitro studies for Urea-induced denaturation

F. Ahmad, A. Islam, Amresh Prakash, 2023, Journal of Molecular Liquids.

Discovery of novel Methylsulfonyl phenyl derivatives as potent human Cyclooxygenase-2 inhibitors with effective anticonvulsant action: Design, synthesis, in-silico, in-vitro and in-vivo evaluation.

C. B. Mishra, Shikha Kumari, M. Tiwari, 2018, European journal of medicinal chemistry.

Insilico study of the A2AR–D2R kinetics and interfacial contact surface for heteromerization

P. Luthra, Amresh Prakash, 2012, Amino Acids.

8-(Furan-2-yl)-3-phenethylthiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidine-2(3H)-thione as novel, selective and potent adenosine A2A receptor antagonist

C. B. Mishra, R. Mongre, Nitin Kumar, 2014, Neuroscience Letters.

2-(2-Hydrazinyl)thiazole derivatives: design, synthesis and in vitro antimycobacterial studies.

Amresh Prakash, Ramakrishna Kankanala, T. Kannan, 2013, European journal of medicinal chemistry.

Novel Carbazole-Piperazine Hybrid Small Molecule Induces Apoptosis by Targeting BCL-2 and Inhibits Tumor Progression in Lung Adenocarcinoma In Vitro and Xenograft Mice Model

Beom Suk Lee, C. B. Mishra, J. Hong, 2019, Cancers.

Design, synthesis, in-silico and biological evaluation of novel donepezil derivatives as multi-target-directed ligands for the treatment of Alzheimer's disease.

C. B. Mishra, V. Saini, A. Lynn, 2017, European journal of medicinal chemistry.

Monocyclic β-lactam and unexpected oxazinone formation: synthesis, crystal structure, docking studies and antibacterial evaluation

C. Daniliuc, M. Irfan, U. Yadava, 2016, Journal of enzyme inhibition and medicinal chemistry.

Computational characterization and in vivo expression of squalene synthase gene in different tissues of Artemisia annua L. plants

Shazia Khan, U. Kiran, M. Abdin, 2016 .

Development of novel carbazole derivatives with effective multifunctional action against Alzheimer's diseases: Design, synthesis, in silico, in vitro and in vivo investigation.

C. B. Mishra, Kundan Kumar, A. Yadav, 2019, Bioorganic chemistry.

Evaluation of flavonoids as 2019-nCoV cell entry inhibitor through molecular docking and pharmacological analysis

Diwakar S. Kumar, Amresh Prakash, D. Bhowmik, 2020, Heliyon.

Artificial Intelligence in Skin Cancer: Diagnosis and Therapy

Vijay Kumar, A. Lynn, Amresh Prakash, 2021, Skin Cancer: Pathogenesis and Diagnosis.

In vitro and in silico studies of urea-induced denaturation of yeast iso-1-cytochrome c and its deletants at pH 6.0 and 25 °C

F. Ahmad, A. Islam, J. Batra, 2015, Journal of biomolecular structure & dynamics.

Emerging Importance of Tyrosine Kinase Inhibitors against Cancer: Quo Vadis to Cure?

C. B. Mishra, R. Mongre, A. Shukla, 2021, International journal of molecular sciences.

Discovering potential inhibitors against SARS-CoV-2 by targeting Nsp13 Helicase

Diwakar S. Kumar, Amresh Prakash, Rakesh Srivastava, 2021, Journal of biomolecular structure & dynamics.

Anti-breast cancer action of carbonic anhydrase IX inhibitor 4-[4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-benzylidene-hydrazinocarbonyl]-benzenesulfonamide (BSM-0004): in vitro and in vivo studies

C. B. Mishra, C. Supuran, R. Mongre, 2021, Journal of enzyme inhibition and medicinal chemistry.

Demethoxycurcumin induces Bcl-2 mediated G2/M arrest and apoptosis in human glioma U87 cells.

Rakesh Kumar, P. Luthra, Amresh Prakash, 2009, Biochemical and biophysical research communications.

Structure-based functional annotation of hypothetical proteins from Candida dubliniensis: a quest for potential drug targets

Asimul Islam, Md. Imtaiyaz Hassan, Faizan Ahmad, 2014, 3 Biotech.

Functional annotation of putative hypothetical proteins from Candida dubliniensis.

F. Ahmad, A. Islam, Kundan Kumar, 2014, Gene.

Design, synthesis and biological evaluation of N-(5-methyl-isoxazol-3-yl/1,3,4-thiadiazol-2-yl)-4-(3-substitutedphenylureido) benzenesulfonamides as human carbonic anhydrase isoenzymes I, II, VII and XII inhibitors

C. B. Mishra, C. Supuran, A. Angeli, 2016, Journal of enzyme inhibition and medicinal chemistry.

Design and synthesis of a novel class of carbonic anhydrase-IX inhibitor 1-(3-(phenyl/4-fluorophenyl)-7-imino-3H-[1,2,3]triazolo[4,5d]pyrimidin 6(7H)yl)urea.

Faizan Ahmad, Md Imtaiyaz Hassan, Chandra Bhushan Mishra, 2016, Journal of molecular graphics & modelling.

Genome-wide analysis of PTR/POT transporters in Candida species and their functional characterization in the newly emerged pathogen Candida auris

R. V. Prasad, Sumana Sharma, A. Lynn, 2022, bioRxiv.

Structural basis of urea-induced unfolding: Unraveling the folding pathway of hemochromatosis factor E.

F. Ahmad, A. Islam, Parvez Khan, 2016, International journal of biological macromolecules.

Insights into the DNA binding induced thermal stabilization of transcription factor FOXP3

Vijay Kumar, A. Lynn, R. Haque, 2018, Journal of biomolecular structure & dynamics.

cDNA-Derived Amino Acid Sequence from Rat Brain A2aR Possesses Conserved Motifs PMNYM of TM 5 Domain, Which May Be Involved in Dimerization of A2aR

Pratibha Mehta Luthra, Amresh Prakash, Sandeep Kumar Barodia, 2007, PRIB.

In silico evaluation of the inhibitory potential of nucleocapsid inhibitors of SARS-CoV-2: a binding and energetic perspective

Priyesh Kumar, S. Haque, A. Mufti, 2022, Journal of biomolecular structure & dynamics.

Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors.

A. Lynn, Amresh Prakash, R. Srivastava, 2020, Journal of molecular graphics & modelling.

Anti-inflammatory Effects of S. cumini Seed Extract on Gelatinase-B (MMP-9) Regulation against Hyperglycemic Cardiomyocyte Stress

C. B. Mishra, S. Kumari, R. Mongre, 2021, Oxidative medicine and cellular longevity.

Effects of natural mutations (L94I and L94V) on the stability and mechanism of folding of horse cytochrome c: A combined in vitro and molecular dynamics simulations approach.

F. Ahmad, A. Islam, A. Lynn, 2020, International journal of biological macromolecules.

Denatured states of yeast cytochrome c induced by heat and guanidinium chloride are structurally and thermodynamically different

F. Ahmad, A. Islam, J. Batra, 2017, Journal of biomolecular structure & dynamics.

GdnHCl-induced unfolding intermediate in the mitochondrial carbonic anhydrase VA.

F. Ahmad, A. Islam, Danish Idrees, 2016, International journal of biological macromolecules.

Spectroscopic and MD simulation studies on unfolding processes of mitochondrial carbonic anhydrase VA induced by urea

F. Ahmad, A. Islam, Danish Idrees, 2016, Journal of biomolecular structure & dynamics.

Structural and thermodynamic characterisation of L94F mutant of horse cytochrome c.

F. Ahmad, A. Islam, Atul Kumar, 2016, International journal of biological macromolecules.

Protein folding: Molecular dynamics simulations and in vitro studies for probing mechanism of urea- and guanidinium chloride-induced unfolding of horse cytochrome-c.

F. Ahmad, A. Islam, A. Lynn, 2019, International journal of biological macromolecules.

Comparative analysis of thermal unfolding simulations of RNA recognition motifs (RRMs) of TAR DNA-binding protein 43 (TDP-43)

Vijay Kumar, A. Lynn, N. Meena, 2019, Journal of biomolecular structure & dynamics.

Solvent sensitivity of protein aggregation in Cu, Zn superoxide dismutase: a molecular dynamics simulation study

Deepak R. Bharti, Vijay Kumar, A. Lynn, 2018, Journal of biomolecular structure & dynamics.

Alterations in local stability and dynamics of A4V SOD1 in the presence of trifluoroethanol

Vijay Kumar, A. Lynn, Amresh Prakash, 2018, Biopolymers.

Novel 8-(furan-2-yl)-3-benzyl thiazolo [5,4-e][1,2,4] triazolo [1,5-c] pyrimidine-2(3H)-thione as selective adenosine A2A receptor antagonist

C. B. Mishra, P. Luthra, Amresh Prakash, 2011, Neuroscience Letters.

Combining SARS-CoV-2 Proofreading Exonuclease and RNA-Dependent RNA Polymerase Inhibitors as a Strategy to Combat COVID-19: A High-Throughput in silico Screening

Pawan Kumar, Shashikant Ray, Shradha Khater, 2021, Frontiers in Microbiology.

Discovering Potential RNA Dependent RNA Polymerase Inhibitors as Prospective Drugs Against COVID-19: An in silico Approach

Satabdi Saha, Poonam Vishwakarma, Diwakar S. Kumar, 2021, Frontiers in Pharmacology.

Exploring the aggregation-prone regions from structural domains of human TDP-43.

Vijay Kumar, A. Tomar, A. Lynn, 2019, Biochimica et biophysica acta. Proteins and proteomics.

TFE-induced local unfolding and fibrillation of SOD1: bridging the experiment and simulation studies.

Vijay Kumar, A. Lynn, P. Pandey, 2018, The Biochemical journal.

Elucidation of stable intermediates in urea-induced unfolding pathway of human carbonic anhydrase IX

A. Lynn, Poonam Vishwakarma, N. Meena, 2018, Journal of biomolecular structure & dynamics.

GdmCl-induced unfolding studies of human carbonic anhydrase IX: a combined spectroscopic and MD simulation approach

Asimul Islam, Faizan Ahmad, Md Imtaiyaz Hassan, 2017, Journal of biomolecular structure & dynamics.

Design and synthesis of (4E)-4-(4-substitutedbenzylideneamino)-3-substituted-2,3-dihydro-2-thioxothiazole-5-carbonitrile as novel A2A receptor antagonists.

Nitin Kumar, Chandra Bhushan Mishra, Pratibha Mehta Luthra, 2013, Bioorganic & medicinal chemistry.

Novel 8-(furan-2-yl)-3-substituted thiazolo [5,4-e][1,2,4] triazolo[1,5-c] pyrimidine-2(3H)-thione derivatives as potential adenosine A(2A) receptor antagonists.

C. B. Mishra, P. Luthra, J. Senthil kumar, 2010, Bioorganic & medicinal chemistry.

“Identification of Nafamostat and VR23 as COVID-19 drug candidates by targeting 3CLpro and PLpro"

Ravi D. Sharma, Diwakar S. Kumar, Amresh Prakash, 2021, Journal of Molecular Structure.

Structural heterogeneity in RNA recognition motif 2 (RRM2) of TAR DNA-binding protein 43 (TDP-43): clue to amyotrophic lateral sclerosis

Vijay Kumar, R. Prasad, A. Lynn, 2020, Journal of biomolecular structure & dynamics.

In silico study of naphtha [1, 2-d] thiazol-2-amine with adenosine A2A receptor and its role in antagonism of haloperidol-induced motor impairments in mice

C. B. Mishra, P. Luthra, Amresh Prakash, 2009, Neuroscience Letters.

Delineating the conformational dynamics of intermediate structures on the unfolding pathway of β-lactoglobulin in aqueous urea and dimethyl sulfoxide

Ravi D. Sharma, A. Lynn, N. Meena, 2019, Journal of biomolecular structure & dynamics.

Development of novel N-(6-methanesulfonyl-benzothiazol-2-yl)-3-(4-substituted-piperazin-1-yl)-propionamides with cholinesterase inhibition, anti-β-amyloid aggregation, neuroprotection and cognition enhancing properties for the therapy of Alzheimer's disease

C. B. Mishra, A. Yadav, A. Lynn, 2020, RSC advances.

Design, synthesis, in silico and biological evaluation of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazine carboxamides

C. B. Mishra, Shikha Kumari, M. Tiwari, 2016, Molecular Diversity.

Genomic landscape of the DHA1 family in the newly emerged pathogen Candida auris and mapping substrate repertoire of the prominent member CauMdr1

R. V. Prasad, A. Lynn, Poonam Vishwakarma, 2022, bioRxiv.

Identification of potential inhibitors of Leishmania donovani Sterol 24-C- methyltransferase: in silico and in vitro studies

T. Bhatt, P. Sarma, Diwakar S. Kumar, 2023, Molecular Simulation.

Identification of potential inhibitors of Leishmania donovani Sterol 24-C- methyltransferase: in silico and in vitro studies

T. Bhatt, P. Sarma, Diwakar S. Kumar, 2023, Molecular Simulation.

Genomic landscape of the DHA1 family in Candida auris and mapping substrate repertoire of CauMdr1

R. V. Prasad, A. Lynn, Poonam Vishwakarma, 2022, Applied Microbiology and Biotechnology.

Comprehensive mapping of mutations in TDP-43 and α-Synuclein that affect stability and binding.

H. Tayeb, Amresh Prakash, Vijay Kumar, 2023, Journal of biomolecular structure & dynamics.