Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach
Mittal, Lovika, Kumari, Anita, Srivastava, Mitul, Singh, Mrityunjay, Asthana, Shailendra
Published in Journal of biomolecular structure & dynamics (03.07.2021)
Published in Journal of biomolecular structure & dynamics (03.07.2021)
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Journal Article
Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp
Srivastava, Mitul, Mittal, Lovika, Kumari, Anita, Asthana, Shailendra
Published in Frontiers in molecular biosciences (20.08.2021)
Published in Frontiers in molecular biosciences (20.08.2021)
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Journal Article
Template Entrance Channel as Possible Allosteric Inhibition and Resistance Site for Quinolines Tricyclic Derivatives in RNA Dependent RNA Polymerase of Bovine Viral Diarrhea Virus
Srivastava, Mitul, Mittal, Lovika, Sarmadhikari, Debapriyo, Singh, Vijay Kumar, Fais, Antonella, Kumar, Amit, Asthana, Shailendra
Published in Pharmaceuticals (Basel, Switzerland) (01.03.2023)
Published in Pharmaceuticals (Basel, Switzerland) (01.03.2023)
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Journal Article
Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR
Kumari, Anita, Mittal, Lovika, Srivastava, Mitul, Pathak, Dharam Pal, Asthana, Shailendra
Published in Frontiers in molecular biosciences (31.08.2021)
Published in Frontiers in molecular biosciences (31.08.2021)
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Journal Article
Interplay among Structural Stability, Plasticity, and Energetics Determined by Conformational Attuning of Flexible Loops in PD‑1
Mittal, Lovika, Srivastava, Mitul, Kumari, Anita, Tonk, Rajiv K, Awasthi, Amit, Asthana, Shailendra
Published in Journal of chemical information and modeling (25.01.2021)
Published in Journal of chemical information and modeling (25.01.2021)
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Journal Article
SARS-CoV-2 envelope protein attain Kac mediated dynamical interaction network to adopt 'histone mimic' at BRD4 interface: SARS-CoV-2 hijacking the human transcriptional machinery - a mechanistic elucidation
Agrahari, Ashish Kumar, Srivastava, Mitul, Singh, Mrityunjay, Asthana, Shailendra
Published in Journal of biomolecular structure & dynamics (29.12.2023)
Published in Journal of biomolecular structure & dynamics (29.12.2023)
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Journal Article
Binding mode characterization of 13b in the monomeric and dimeric states of SARS-CoV-2 main protease using molecular dynamics simulations
Kumari, Anita, Mittal, Lovika, Srivastava, Mitul, Asthana, Shailendra
Published in Journal of biomolecular structure & dynamics (01.01.2022)
Published in Journal of biomolecular structure & dynamics (01.01.2022)
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Journal Article
SARS-CoV-2 envelope protein attain K ac mediated dynamical interaction network to adopt ‘histone mimic’ at BRD4 interface: SARS-CoV-2 hijacking the human transcriptional machinery – a mechanistic elucidation
Agrahari, Ashish Kumar, Srivastava, Mitul, Singh, Mrityunjay, Asthana, Shailendra
Published in Journal of biomolecular structure & dynamics (29.12.2023)
Published in Journal of biomolecular structure & dynamics (29.12.2023)
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Journal Article
Elucidation of Structural Determinants Delineates the Residues Playing Key Roles in Differential Dynamics and Selective Inhibition of Sirt1–3
Singh, Mrityunjay, Srivastava, Mitul, Wakode, Sharad R, Asthana, Shailendra
Published in Journal of chemical information and modeling (22.03.2021)
Published in Journal of chemical information and modeling (22.03.2021)
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Journal Article
Characterizing (un)binding mechanism of USP7 inhibitors to unravel the cause of enhanced binding potencies at allosteric checkpoint
Srivastava, Mitul, Mittal, Lovika, Kumari, Anita, Agrahari, Ashish Kumar, Singh, Mrityunjay, Mathur, Rajani, Asthana, Shailendra
Published in Protein science (01.09.2022)
Published in Protein science (01.09.2022)
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Journal Article
Hotspot site microenvironment in the deubiquitinase OTUB1 drives its stability and aggregation
Majumder, Sushanta, Srivastava, Mitul, Alam, Parvez, Saha, Sandhini, Kumari, Raniki, Chand, Ajay Kumar, Asthana, Shailendra, Sen, Sobhan, Maiti, Tushar Kanti
Published in The Journal of biological chemistry (01.06.2024)
Published in The Journal of biological chemistry (01.06.2024)
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Journal Article
Polyphosphate kinase-1 regulates bacterial and host metabolic pathways involved in pathogenesis of Mycobacterium tuberculosis
Chugh, Saurabh, Tiwari, Prabhakar, Suri, Charu, Gupta, Sonu Kumar, Singh, Padam, Bouzeyen, Rania, Kidwai, Saqib, Srivastava, Mitul, Rameshwaram, Nagender Rao, Kumar, Yashwant, Asthana, Shailendra, Singh, Ramandeep
Published in Proceedings of the National Academy of Sciences - PNAS (09.01.2024)
Published in Proceedings of the National Academy of Sciences - PNAS (09.01.2024)
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Journal Article
Identification and validation of potent inhibitor of Escherichia coli DHFR from MMV pathogen box
Sharma, Shingini, Tyagi, Rashmi, Srivastava, Mitul, Rani, Kusum, Kumar, Dhruv, Asthana, Shailendra, Raj, V. Samuel
Published in Journal of biomolecular structure & dynamics (24.07.2023)
Published in Journal of biomolecular structure & dynamics (24.07.2023)
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Journal Article
7D, a small molecule inhibits dengue infection by increasing interferons and neutralizing-antibodies via CXCL4:CXCR3:p38:IRF3 and Sirt1:STAT3 axes respectively
Gaur, Kishan Kumar, Asuru, Tejeswara Rao, Srivastava, Mitul, Singh, Nitu, Purushotham, Nikil, Poojary, Boja, Das, Bhabatosh, Bhattacharyya, Sankar, Asthana, Shailendra, Guchhait, Prasenjit
Published in EMBO molecular medicine (16.09.2024)
Published in EMBO molecular medicine (16.09.2024)
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Journal Article
Development of potential proteasome inhibitors against Mycobacterium tuberculosis
Tyagi, Rashmi, Srivastava, Mitul, Jain, Preeti, Pandey, Ramendra Pati, Asthana, Shailendra, Kumar, Dhruv, Raj, V. Samuel
Published in Journal of biomolecular structure & dynamics (24.03.2022)
Published in Journal of biomolecular structure & dynamics (24.03.2022)
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Journal Article
SARS-CoV-2 envelope protein attain Kac mediated dynamical interaction network to adopt 'histone mimic' at BRD4 interface
Agrahari, Ashish Kumar, Srivastava, Mitul, Singh, Mrityunjay, Asthana, Shailendra
Published in Journal of biomolecular structure & dynamics (01.01.2023)
Published in Journal of biomolecular structure & dynamics (01.01.2023)
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Journal Article