Works by Mathpal, Shalini

Results: 19

Antibacterial Activity, Phytochemical Analysis of C. coggygria Leaf Extracts Against S. typhi, and Computational Studies to Screen Potential Drug Candidates.

Published in:

Indian Journal of Microbiology, 2025, v. 65, n. 2, p. 928, doi. 10.1007/s12088-024-01283-w

By:

Negi, Ankit;
Pant, Pooja;
Mathpal, Shalini;
Tewari, Disha;
Upadhyay, Santosh Kumar;
Chandra, Subhash;
Kumar, Rishendra

Publication type:

Article

Machine learning and cheminformatics-based Identification of lichen-derived compounds targeting mutant PBP4<sup>R200L</sup> in Staphylococcus aureus.

Published in:

Molecular Diversity, 2025, v. 29, n. 4, p. 3345, doi. 10.1007/s11030-025-11125-6

By:

Mathpal, Shalini;
Joshi, Tushar;
Priyamvada, P.;
Ramaiah, Sudha;
Anbarasu, Anand

Publication type:

Article

Identification of Putative Elicitors From Plant Root Exudates Responsible for PsoR Activation in Plant-Beneficial Pseudomonas spp. by Docking and Molecular Dynamics Simulation Approaches to Decipher Plant–Microbe Interaction.

Published in:

Frontiers in Plant Science, 2022, v. 13, p. 1, doi. 10.3389/fpls.2022.875494

By:

Sati, Diksha;
Joshi, Tushar;
Pandey, Satish Chandra;
Pande, Veni;
Mathpal, Shalini;
Chandra, Subhash;
Samant, Mukesh

Publication type:

Article

Computational investigation of drug bank compounds against 3C-like protease (3CL<sup>pro</sup>) of SARS-CoV-2 using deep learning and molecular dynamics simulation.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2243, doi. 10.1007/s11030-021-10330-3

By:

Joshi, Tushar;
Sharma, Priyanka;
Mathpal, Shalini;
Joshi, Tanuja;
Maiti, Priyanka;
Nand, Mahesha;
Pande, Veena;
Chandra, Subhash

Publication type:

Article

Using Chou's 5-steps rule to study pharmacophore-based virtual screening of SARS-CoV-2 Mpro inhibitors.

Published in:

Molecular Diversity, 2021, v. 25, n. 3, p. 1731, doi. 10.1007/s11030-020-10148-5

By:

Pundir, Hemlata;
Joshi, Tanuja;
Joshi, Tushar;
Sharma, Priyanka;
Mathpal, Shalini;
Chandra, Subhash;
Tamta, Sushma

Publication type:

Article

Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19.

Published in:

Molecular Diversity, 2021, v. 25, n. 3, p. 1665, doi. 10.1007/s11030-020-10118-x

By:

Joshi, Tanuja;
Sharma, Priyanka;
Joshi, Tushar;
Pundir, Hemlata;
Mathpal, Shalini;
Chandra, Subhash

Publication type:

Article

In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancer.

Published in:

3 Biotech, 2023, v. 14, n. 1, p. 1, doi. 10.1007/s13205-023-03858-8

By:

Mathpal, Shalini;
Joshi, Tushar;
Sharma, Priyanka;
Maiti, Priyanka;
Nand, Mahesha;
Pande, Veena;
Chandra, Subhash

Publication type:

Article

Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screening.

Published in:

Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 20, p. 10551, doi. 10.1080/07391102.2023.2257333

By:

Maiti, Priyanka;
Nand, Mahesha;
Mathpal, Shalini;
Wahab, Shadma;
Kuniyal, Jagdish Chandra;
Sharma, Priyanka;
Joshi, Tushar;
Ramakrishnan, Muthannan Andavar;
Chandra, Subhash

Publication type:

Article

Genomic assortment and interactive insights of the chromosomal encoded control of cell death (ccd) toxin-antitoxin (TA) module in Xenorhabdus nematophila.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 15, p. 7032, doi. 10.1080/07391102.2022.2114940

By:

Chaudhary, Shobhi;
Yadav, Mohit;
Mathpal, Shalini;
Chandra, Subhash;
Rathore, Jitendra Singh

Publication type:

Article

In silico screening of natural compounds to inhibit interaction of human ACE2 receptor and spike protein of SARS-CoV-2 for the prevention of COVID-19.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 2, p. 646, doi. 10.1080/07391102.2021.2010599

By:

Sharma, Priyanka;
Joshi, Tanuja;
Joshi, Tushar;
Mathpal, Shalini;
Maiti, Priyanka;
Nand, Mahesh;
Chandra, Subhash;
Tamta, Sushma

Publication type:

Article

Molecular docking and molecular dynamics simulation approaches for evaluation of laccase-mediated biodegradation of various industrial dyes.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12461, doi. 10.1080/07391102.2021.1971564

By:

Pande, Veni;
Joshi, Tushar;
Pandey, Satish Chandra;
Sati, Diksha;
Mathpal, Shalini;
Pande, Veena;
Chandra, Subhash;
Samant, Mukesh

Publication type:

Article

In silico identification of antidiabetic target for phytochemicals of A. marmelos and mechanistic insights by molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 21, p. 10543, doi. 10.1080/07391102.2021.1944910

By:

Sharma, Priyanka;
Joshi, Tushar;
Mathpal, Shalini;
Chandra, Subhash;
Tamta, Sushma

Publication type:

Article

Screening of potential bio-molecules from Moringa olifera against SARS-CoV-2 main protease using computational approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 20, p. 9885, doi. 10.1080/07391102.2021.1936183

By:

Mathpal, Shalini;
Sharma, Priyanka;
Joshi, Tushar;
Joshi, Tanuja;
Pande, Veena;
Chandra, Subhash

Publication type:

Article

Repurposing of FDA approved drugs against Salmonella enteric serovar Typhi by targeting dihydrofolate reductase: an in silico study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 8, p. 3731, doi. 10.1080/07391102.2020.1850356

By:

Joshi, Tushar;
Sharma, Priyanka;
Joshi, Tanuja;
Mathpal, Shalini;
Pande, Veena;
Chandra, Subhash

Publication type:

Article

Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 6, p. 2757, doi. 10.1080/07391102.2020.1842806

By:

Sharma, Priyanka;
Joshi, Tushar;
Mathpal, Shalini;
Joshi, Tanuja;
Pundir, Hemlata;
Chandra, Subhash;
Tamta, Sushma

Publication type:

Article

A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 3, p. 1084, doi. 10.1080/07391102.2020.1821785

By:

Mathpal, Shalini;
Joshi, Tushar;
Sharma, Priyanka;
Joshi, Tanuja;
Pundir, Hemlata;
Pande, Veena;
Chandra, Subhash

Publication type:

Article

Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 17, p. 6728, doi. 10.1080/07391102.2020.1802341

By:

Joshi, Tanuja;
Joshi, Tushar;
Pundir, Hemlata;
Sharma, Priyanka;
Mathpal, Shalini;
Chandra, Subhash

Publication type:

Article

In-silico evaluation of Azadirachta indica-derived Daucosterol against key viral proteins of Ebolavirus using ML and MD simulations approach.

Published in:

Journal of Biological Physics, 2025, v. 51, n. 1, p. 1, doi. 10.1007/s10867-025-09683-9

By:

Joshi, Tushar;
Priyamvada, Priyamvada;
Mathpal, Shalini;
Sriram, Suratha;
Madaan, Shivani;
Ramaiah, Sudha;
Anbarasu, Anand

Publication type:

Article

Integrated Machine Learning and Chemoinformatics-Based Screening of Mycotic Compounds against Kinesin Spindle ProteinEg5 for Lung Cancer Therapy.

Published in:

Molecules, 2022, v. 27, n. 5, p. 1639, doi. 10.3390/molecules27051639

By:

Maiti, Priyanka;
Sharma, Priyanka;
Nand, Mahesha;
Bhatt, Indra D.;
Ramakrishnan, Muthannan Andavar;
Mathpal, Shalini;
Joshi, Tushar;
Pant, Ragini;
Mahmud, Shafi;
Simal-Gandara, Jesus;
Alshehri, Sultan;
Ghoneim, Mohammed M.;
Alruwaily, Maha;
Awadh, Ahmed Abdullah Al;
Alshahrani, Mohammed Merae;
Chandra, Subhash

Publication type:

Article