Applying polypharmacology approach for drug repurposing for SARS-CoV2 E Jamir, H Sarma, L Priyadarsinee, S Nagamani, K Kiewhuo, AS Gaur, ... Journal of Chemical Sciences 134 (2), 57, 2022 | 14 | 2022 |
Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach SS Madugula, S Nagamani, E Jamir, L Priyadarsinee, GN Sastry Molecular Diversity 26 (3), 1675-1695, 2022 | 9 | 2022 |
Structure-function relationships among selected human coronaviruses E Jamir, K Kiewhuo, L Priyadarsinee, H Sarma, S Nagamani, GN Sastry Indian Journal of Biochemistry and Biophysics (IJBB) 59 (5), 536-551, 2022 | 7 | 2022 |
Glycoprotein attachment with host cell surface receptor ephrin B2 and B3 in mediating entry of nipah and hendra virus: a computational investigation L Priyadarsinee, H Sarma, GN Sastry Journal of Chemical Sciences 134 (4), 114, 2022 | 6 | 2022 |
Polypharmacology guided drug repositioning approach for SARS-CoV2 E Jamir, H Sarma, L Priyadarsinee, K Kiewhuo, S Nagamani, GN Sastry PLoS One 18 (8), e0289890, 2023 | 5 | 2023 |
Molecular dynamics simulations reveal the effect of mutations in the RING domains of BRCA1-BARD1 complex and its relevance to the prognosis of breast cancer K Kiewhuo, L Priyadarsinee, H Sarma, GN Sastry Journal of Biomolecular Structure and Dynamics 41 (22), 12734-12752, 2023 | 4 | 2023 |
Galaxy for open-source computational drug discovery solutions A Singh Gaur, S Nagamani, L Priyadarsinee, HJ Mahanta, ... Expert Opinion on Drug Discovery 18 (6), 579-590, 2023 | 3 | 2023 |
Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space L John, S Nagamani, HJ Mahanta, S Vaikundamani, N Kumar, A Kumar, ... Molecular Diversity, 1-17, 2023 | 2 | 2023 |
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): An open access disease specific drug discovery portal L Priyadarsinee, E Jamir, S Nagamani, HJ Mahanta, N Kumar, L John, ... bioRxiv, 2023.08. 29.555437, 2023 | 1 | 2023 |
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal L Priyadarsinee, E Jamir, S Nagamani, HJ Mahanta, N Kumar, L John, ... GigaByte 2024, 2024 | | 2024 |
THE IMPACT OF PANDEMICS, EPIDEMICS, AND THE PROLIFERATION OF ARTIFICIAL INTELLIGENCE ON (COMPUTATIONAL) DRUG DISCOVERY GN Sastry, L Priyadarsinee XXIX International Symposium" Bioinformatics and Computer-Aided Drug …, 2023 | | 2023 |
Screening of phytochemicals for potential breast cancer targets BRCA1 and BARD1: A network pharmacology approach K Kiewhuo, E Jamir, L Priyadarsinee, S Nagamani, GN Sastry NIScPR-CSIR, India, 2023 | | 2023 |
A structure-based drug repurposing approach by considering the twenty four SARS-CoV2 Targets: A consensus scoring approach E Jamir, H Sarma, L Priyadarsinee, K Kiewhuo, S Nagamani, GN Sastry | | 2022 |