Shailendra Asthana

发表

Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach

A. Kumari, Lovika Mittal, Mitul Srivastava, 2020, Journal of biomolecular structure & dynamics.

A Review on the Progress and Prospects of Dengue Drug Discovery Targeting NS5 RNA- Dependent RNA Polymerase.

S. Bhattacharyya, Lovika Mittal, Shailendra Asthana, 2020, Current pharmaceutical design.

Recent Advances in Drug Development Targeting Cancer Metabolism

A. Awasthi, Lovika Mittal, Shailendra Asthana, 2020 .

Design and synthesis of amino acid derivatives of substituted benzimidazoles and pyrazoles as Sirt1 inhibitors

S. Wakode, Mrityunjay Singh, Shailendra Asthana, 2022, RSC advances.

A common tag nucleotide variant in MMP7 promoter increases risk for hypertension via enhanced interactions with CREB transcription factor

N. Mahapatra, A. Mullasari, Saurabh Sharma, 2019, bioRxiv.

Perturbed Signaling and Role of Posttranslational Modifications in Cancer Drug Resistance

A. Yadav, Shailendra Asthana, Suruchi Aggarwal, 2017 .

Computational modeling suggests impaired interactions between NKX2.5 and GATA4 in individuals carrying a novel pathogenic D16N NKX2.5 mutation

K. S. Murthy, S. Mattapally, S. Banerjee, 2018, Oncotarget.

Potent Inhibition of Hepatitis E Virus Release by a Cyclic Peptide Inhibitor of the Interaction between Viral Open Reading Frame 3 Protein and Host Tumor Susceptibility Gene 101

Milan Surjit, Saumya Anang, Shalimar, 2018, Journal of Virology.

Immunological and cardio-vascular pathologies associated with SARS-CoV-2 infection in golden syrian hamster

A. Awasthi, M. Tripathy, A. Yadav, 2021, bioRxiv.

Metabolomics Analysis and Modeling Suggest a Lysophosphocholines-PAF Receptor Interaction in Fibromyalgia

P. Caboni, E. Pieroni, L. Atzori, 2014, PloS one.

Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach

A. Kumari, Lovika Mittal, Mitul Srivastava, 2020, Journal of biomolecular structure & dynamics.

Identification of Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

A. Kumari, Lovika Mittal, Mitul Srivastava, 2020 .

Identification and validation of potent inhibitor of Escherichia coli DHFR from MMV pathogen box

Dhruv Kumar, Mitul Srivastava, Shailendra Asthana, 2022, Journal of biomolecular structure & dynamics.

Traversing through the Dynamic Protein-Protein Interaction Landscape and Conformational Plasticity of PD-1 for Small-Molecule Discovery.

A. Awasthi, Lovika Mittal, Shailendra Asthana, 2022, Journal of medicinal chemistry.

Breast Cancer in Indian Women: Genetic Risk Factors and Predictive Biomarkers

S. Saxena, Anshuman Mishra, A. Bansal, 2019, Annals of the National Academy of Medical Sciences (India).

Scavenger receptor B type 1: expression, molecular regulation, and cholesterol transport function

F. Kraemer, W. Shen, Shailendra Asthana, 2018, Journal of Lipid Research.

Combined treatment with cisplatin and the tankyrase inhibitor XAV-939 increases cytotoxicity, abrogates cancer-stem-like cell phenotype and increases chemosensitivity of head-and-neck squamous-cell carcinoma cells.

M. Hande, F. Delogu, Amit Kumar, 2019, Mutation research.

Protein kinase C-mediated sodium glucose transporter 1 activation in precondition-induced cardioprotection

S. Banerjee, Shailendra Asthana, Abhinav Kanwal, 2016, Drug design, development and therapy.

A Common Tag Nucleotide Variant in MMP7 Promoter Increases Risk for Hypertension via Enhanced Interactions With CREB (Cyclic AMP Response Element-Binding Protein) Transcription Factor.

N. Mahapatra, A. Mullasari, Saurabh Sharma, 2019, Hypertension.

Japanese Encephalitis Virus NS4A Protein Interacts with PTEN-Induced Kinase 1 (PINK1) and Promotes Mitophagy in Infected Cells

Shailendra Asthana, Manjula Kalia, S. Vrati, 2022, Microbiology spectrum.

Crystallographic mining of ASK1 regulators to unravel the intricate PPI interfaces for the discovery of small molecule

A. Agrahari, M. Dikshit, Shailendra Asthana, 2022, Computational and structural biotechnology journal.

Japanese encephalitis virus capsid protein interacts with non-lipidated MAP1LC3 on replication membranes and lipid droplets

A. Kumari, Shailendra Asthana, Manjula Kalia, 2020, bioRxiv.

Design and Synthesis of Amino Acid Derivatives of Substituted Benzimidazoles and Pyrazoles as Selective Sirt1 Inhibitors

S. Wakode, S. Banerjee, Mrityunjay Singh, 2020 .

Bile acids mediated potential functional interaction between FXR and FATP5 in the regulation of Lipid Metabolism

A. Kumari, Shailendra Asthana, Dharam Pal Pathak, 2020, International journal of biological sciences.

Characterizing (un)binding mechanism of USP7 inhibitors to unravel the cause of enhanced binding potencies at allosteric checkpoint

A. Agrahari, Lovika Mittal, Mitul Srivastava, 2022, Protein science : a publication of the Protein Society.

A common Matrix metalloproteinase 8 promoter haplotype enhances the risk for hypertension via diminished interactions with nuclear factor kappa B

N. Mahapatra, A. Mullasari, Saurabh Sharma, 2022, Journal of hypertension.

Fluoresceinated Aminohexanol Tethered Inositol Hexakisphosphate: Studies on Arabidopsis thaliana and Drosophila melanogaster and Docking with 2P1M Receptor

S. Eswaran, S. Bhattacharjee, Shailendra Asthana, 2020, ACS omega.

RNA-Protein Interactome at the Hepatitis E Virus Internal Ribosome Entry Site

A. Agrahari, Milan Surjit, T. Maiti, 2022, bioRxiv.

Identification of an anti–SARS–CoV-2 receptor-binding domain–directed human monoclonal antibody from a naïve semisynthetic library

R. Kumar, S. Sinha, Naveen Yadav, 2020, The Journal of Biological Chemistry.

Japanese encephalitis virus capsid protein interacts with non-lipidated MAP1LC3 on replication membranes and lipid droplets.

A. Kumari, Shailendra Asthana, Manjula Kalia, 2020, The Journal of general virology.

A Molecular Analysis Provides Novel Insights into Androgen Receptor Signalling in Breast Cancer

S. Saxena, C. Mandal, Shailendra Asthana, 2015, PloS one.

Development of potential proteasome inhibitors against Mycobacterium tuberculosis

Dhruv Kumar, P. Jain, Mitul Srivastava, 2020, Journal of biomolecular structure & dynamics.

Computational study of novel inhibitory molecule, 1-(4-((2S,3S)-3-amino-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus

Poonam, Dhruv Kumar, Sumit Kumar, 2021, Journal of biomolecular structure & dynamics.

Identification and validation of potent Mycobacterial proteasome inhibitor from Enamine library

Dhruv Kumar, Mitul Srivastava, Shailendra Asthana, 2021, Journal of biomolecular structure & dynamics.

Discovery of non-nucleoside oxindole derivatives as potent inhibitors against dengue RNA-dependent RNA polymerase.

S. Bhattacharyya, Lovika Mittal, Shailendra Asthana, 2022, Bioorganic chemistry.

A novel STK1-targeted small-molecule as an “antibiotic resistance breaker” against multidrug-resistant Staphylococcus aureus

D. Missiakas, Shailendra Asthana, V. Pancholi, 2017, Scientific Reports.

Structure-Activity Relationship Study of Hydroxycoumarins and Mushroom Tyrosinase.

P. Ruggerone, A. Vargiu, A. Rescigno, 2015, Journal of agricultural and food chemistry.

A review on genotoxicity in connection to infertility and cancer.

C. Sharma, Sapna Jain, Shailendra Asthana, 2021, Chemico-biological interactions.

NSC19723, a Thiacetazone-Like Benzaldehyde Thiosemicarbazone Improves the Efficacy of TB Drugs In Vitro and In Vivo

G. Besra, A. Agrahari, Ramandeep Singh, 2022, Microbiology spectrum.

Golden Syrian hamster as a model to study cardiovascular complications associated with SARS-CoV-2 infection

A. Awasthi, M. Tripathy, A. Yadav, 2022, eLife.

Wuhan to World: The COVID-19 Pandemic

S. Bhattacharyya, T. K. Sharma, Shailendra Asthana, 2021, Frontiers in Cellular and Infection Microbiology.

Coumarin derivatives as promising xanthine oxidase inhibitors.

L. Santana, E. Uriarte, F. Delogu, 2018, International journal of biological macromolecules.

Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp

A. Kumari, Lovika Mittal, Mitul Srivastava, 2021, Frontiers in Molecular Biosciences.

Designing and characterization of a SARS-CoV-2 immunogen with receptor binding motif grafted on a protein scaffold: An epitope-focused vaccine approach

A. Awasthi, A. Agrahari, H. A. Parray, 2022, International Journal of Biological Macromolecules.

Molecular mechanisms of interplay between autophagy and metabolism in cancer.

M. Kamal, Dhruv Kumar, J. Ruokolainen, 2020, Life sciences.

Presence of a consensus DNA motif at nearby DNA sequence of the mutation susceptible CG nucleotides.

Shailendra Asthana, Bridget Ford, C. Mandal, 2018, Gene.

Common genetic variants associated with Parkinson’s disease display widespread signature of epigenetic plasticity

P. Bucher, Hongde Liu, N. Osato, 2019, Scientific Reports.

Crystallographic landscape provides molecular insights into the modes of action of diverse ROR-γt modulators.

A. Awasthi, Shailendra Asthana, C. Suri, 2021, Drug discovery today.

Structure-based pharmacophore mapping and virtual screening of natural products to identify polypharmacological inhibitor against c-MET/EGFR/VEGFR-2

S. Wakode, Mrityunjay Singh, Shailendra Asthana, 2022, Journal of biomolecular structure & dynamics.

Identification of diphenyl furan derivative via high throughput and computational studies as ArgA inhibitor of Mycobacterium tuberculosis.

Ramandeep Singh, D. Chaudhary, T. Maiti, 2021, International journal of biological macromolecules.

konnect2prot: a web application to explore the protein properties in a functional protein–protein interaction network

Shailendra Asthana, Dipanka Sarmah, Shivam Kumar, 2022, Bioinform..

Targeting cryptic-orthosteric site of PD-L1 for inhibitor identification using structure-guided approach.

A. Awasthi, Lovika Mittal, Shailendra Asthana, 2021, Archives of biochemistry and biophysics.

Interplay among Structural Stability, Plasticity, and Energetics Determined by Conformational Attuning of Flexible Loops in PD-1

Amit Awasthi, Anita Kumari, Shailendra Asthana, 2021, J. Chem. Inf. Model..

Molecular mechanism of viral resistance to a potent non-nucleoside inhibitor unveiled by molecular simulations.

P. Ruggerone, A. Vargiu, Shailendra Asthana, 2014, Biochemistry.

Different molecular mechanisms of inhibition of bovine viral diarrhea virus and hepatitis C virus RNA-dependent RNA polymerases by a novel benzimidazole.

P. Ruggerone, A. Vargiu, G. Giliberti, 2013, Biochemistry.

Deciphering the Structural Determinants Critical in Attaining the FXR Partial Agonism.

Lovika Mittal, Mitul Srivastava, Shailendra Asthana, 2023, The journal of physical chemistry. B.

Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR

A. Kumari, Lovika Mittal, Mitul Srivastava, 2021, Frontiers in Molecular Biosciences.

A Multidimensional Approach to Explore the Use of a Small Heterobifunctional Crosslinker based on a Metabolite of the Kynurenine Pathway

R. Goel, S. Eswaran, Ankur Kumar, 2019, Journal of Proteomics & Bioinformatics.

Intradermal Immunization of Soluble Influenza HA Derived from a Lethal Virus Induces High Magnitude and Breadth of Antibody Responses and Provides Complete Protection In Vivo

Varun Kumar, Mrityunjay Singh, Shailendra Asthana, 2023, Vaccines.

Molecular dynamics simulation reveals the possible druggable hot-spots of USP7

Mitul Srivastava, Mrityunjay Singh, Shailendra Asthana, 2018, Oncotarget.

Synthesis and evaluation of thiophene based small molecules as potent inhibitors of Mycobacterium tuberculosis.

Ramandeep Singh, R. Shaliwal, Arun Kumar, 2020, European journal of medicinal chemistry.

SARS-CoV-2 envelope protein attain Kac mediated dynamical interaction network to adopt ‘histone mimic’ at BRD4 interface

A. Agrahari, Mitul Srivastava, Mrityunjay Singh, 2023, Journal of biomolecular structure & dynamics.

Template Entrance Channel as Possible Allosteric Inhibition and Resistance Site for Quinolines Tricyclic Derivatives in RNA Dependent RNA Polymerase of Bovine Viral Diarrhea Virus

A. Fais, Lovika Mittal, Mitul Srivastava, 2023, Pharmaceuticals.

Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations

A. Kumari, Lovika Mittal, Mitul Srivastava, 2021, Journal of biomolecular structure & dynamics.

Elucidation of Structural Determinants Delineates the Residues Playing Key Roles in Differential Dynamics and Selective Inhibition of Sirt1-3

Shailendra Asthana, Mitul Srivastava, Mrityunjay Singh, 2021, J. Chem. Inf. Model..

Insights into structural dynamics of allosteric binding sites in HCV RNA-dependent RNA polymerase

Charu Suri, Sankar Bhattacharya, Anita Kumari, 2019, Journal of biomolecular structure & dynamics.

Proteome analysis revealed the essential functions of protein phosphatase PP2A in the induction of Th9 cells

R. Goel, A. Awasthi, A. Yadav, 2020, Scientific Reports.

Drug Transporters as Therapeutic Targets: Computational Models, Challenges, and Future Perspective

Deepak Singla, Ritika Bishnoi, Sandeep Kumar Dhanda, 2018 .

Non-oncology drug (meticrane) shows anti-cancer ability in synergy with epigenetic inhibitors and appears to be involved passively in targeting cancer cells

Arun Sharma, Lovika Mittal, Shailendra Asthana, 2023, Frontiers in Oncology.

Molecular mechanism of viral resistance to a potent non-nucleoside inhibitor unveiled by molecular simulations.

P. Ruggerone, A. Vargiu, Shailendra Asthana, 2014, Biochemistry.

Role of Oxidative Stress in Metabolic Reprogramming of Brain Cancer

Shailendra Asthana, Kirti Agrawal, Dhruv Kumar, 2023, Cancers.

Structure-based virtual screening, molecular dynamics simulation and in vitro evaluation to identify inhibitors against NAMPT

A. Kumari, Shruti Panwar, Shailendra Asthana, 2021, Journal of biomolecular structure & dynamics.

Severe acute respiratory syndrome coronavirus (SARS-CoV)-2 infection in the Golden 35 Syrian hamster causes lung pathology that resembles human coronavirus disease (COVID-

Manasa Tripathy, A. Awasthi, A. Yadav, 2022 .

Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic region.

A. Agrahari, Shailendra Asthana, D. Pathak, 2023, Journal of biomolecular structure & dynamics.

Fangchinoline inhibits SARS-CoV-2 and MERS-CoV entry.

B. Haagmans, Mitul Srivastava, Shailendra Asthana, 2023, Antiviral research.

Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline.

Lovika Mittal, Shailendra Asthana, R. Tonk, 2023, Computational Biology and Chemistry.

In silico analysis and characterization of potential inhibitors of MmaA3, a methoxy mycolic acid synthase from Mycobacterium tuberculosis.

Shailendra Asthana, P. Mazumdar, Debapriyo Sarmadhikari, 2024, Journal of biomolecular structure & dynamics.

Conformational Characterization of Linker Revealed the Mechanism of Cavity Formation by 227G in BVDV RdRp.

Lovika Mittal, Mitul Srivastava, Shailendra Asthana, 2019, The journal of physical chemistry. B.

Characterization and immunogenicity assessment of MERS-CoV pre-fusion spike trimeric oligomers as vaccine immunogen

Shailendra Asthana, Sweety Samal, Sneha Raj, 2024, Human vaccines & immunotherapeutics.

Understanding the role of conserved proline and serine residues in the SARS-CoV-2 spike cleavage sites in the virus entry, fusion, and infectivity

Shailendra Asthana, Sweety Samal, A. Goswami, 2023, 3 Biotech.

Inhibition of early RNA replication in Chikungunya and Dengue virus by lycorine: In vitro and in silico studies.

Shailendra Asthana, Sweety Samal, Upasna Madan, 2024, Biochemical and biophysical research communications.

Structural insights into trypanosomatid Mnk kinase orthologues (kMnks) suggest altered mechanism in the kinase domain.

Mrityunjay Singh, Shailendra Asthana, Anica Dadwal, 2024, International journal of biological macromolecules.

Hotspot site microenvironment in the deubiquitinase OTUB1 drives its stability and aggregation

Mitul Srivastava, Shailendra Asthana, Sushanta Majumder, 2024, The Journal of biological chemistry.

Conformational dynamics of a nicotinic receptor neurotransmitter site

A. Auerbach, D. Indurthi, Lovika Mittal, 2024, bioRxiv.

Polyphosphate kinase-1 regulates bacterial and host metabolic pathways involved in pathogenesis of Mycobacterium tuberculosis

Ramandeep Singh, Mitul Srivastava, Shailendra Asthana, 2024, Proceedings of the National Academy of Sciences of the United States of America.

LOXL2 in non‐alcoholic Steatohepatitis (NASH): Insights into fibrosis pathogenesis and therapeutic potential

A. Agrahari, Shailendra Asthana, Joys Rachel Immanuel, 2024, Liver International Communications.