| Synthesis, characterization and pharmacological evaluation of 2-aminothiazole incorporated azo dyes BN Ravi, J Keshavayya, V Kumar, S Kandgal Journal of Molecular Structure 1204, 127493, 2020 | 37 | 2020 |
| Molecular docking analysis of curcumin analogues against kinase domain of ALK5 S Kandagalla, BS Sharath, BR Bharath, U Hani, H Manjunatha In silico pharmacology 5, 1-9, 2017 | 30 | 2017 |
| Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking J Novak, H Rimac, S Kandagalla, P Pathak, V Naumovich, M Grishina, ... Journal of Biomolecular Structure and Dynamics 40 (19), 9347-9360, 2022 | 22 | 2022 |
| Complementarity principle in terms of electron density for the study of EGFR complexes S Kandagalla, H Rimac, VA Potemkin, MA Grishina Future Medicinal Chemistry 13 (10), 863-875, 2021 | 18 | 2021 |
| Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database J Novak, H Rimac, S Kandagalla, MA Grishina, VA Potemkin Future Medicinal Chemistry, 2021 | 16 | 2021 |
| Exploring the ethnomycological potential of Lentinus squarrosulus Mont. through GC–MS and chemoinformatics tools D Reena Roy, S Kandagalla, M Krishnappa Mycology 11 (1), 78, 2020 | 13 | 2020 |
| Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain–human angiotensin … P Gollapalli, S B. S, H Rimac, P Patil, SK Nalilu, S Kandagalla, P Shetty Journal of Biomolecular Structure and Dynamics 40 (6), 2701-2714, 2022 | 11 | 2022 |
| Synthesis, characterization, electrochemistry, biological and molecular docking studies of the novel Co (II), Ni (II) and Cu (II) complexes derived from methanethiol bridged (2 … NS Kumar, G Krishnamurthy, M Pari, TRR Naik, KSJ Kumara, S Naik, ... Journal of Molecular Structure 1220, 128586, 2020 | 10 | 2020 |
| Synthesis, characterization and tumor inhibitory activity of a novel Pd (ii) complex derived from methanethiol-bridged (2-((1 H-benzo [d] imidazol-2-yl) methylthio)-1 H-benzo … S Kumar, G Krishnamurthy, YD Bodke, VH Malojirao, RN TR, ... New Journal of Chemistry 43 (2), 790-806, 2019 | 10 | 2019 |
| A network pharmacology approach to investigate the pharmacological effect of curcumin and capsaicin targets in cancer angiogenesis by module-based PPI network analysis S Belenahalli Shekarappa, S Kandagalla, M Hanumanthappa Journal of Proteins and Proteomics 10, 109-120, 2019 | 9 | 2019 |
| Topology of protein–protein interaction network and edge reduction co-efficiency in VEGF signaling of breast cancer S Belenahalli Shekarappa, S Kandagalla, P Gollapalli, ... Network Modeling Analysis in Health Informatics and Bioinformatics 6, 1-11, 2017 | 9 | 2017 |
| Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking S Kandagalla, J Novak, SB Shekarappa, MA Grishina, VA Potemkin, ... Journal of Biomolecular Structure and Dynamics 40 (24), 13547-13563, 2022 | 6 | 2022 |
| Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches S Kandagalla, H Rimac, K Gurushankar, J Novak, M Grishina, V Potemkin PeerJ 10, e13374, 2022 | 6 | 2022 |
| Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitors S Kandagalla, SB Shekarappa, H Rimac, MA Grishina, VA Potemkin, ... Journal of Molecular Graphics and Modelling 101, 107756, 2020 | 4 | 2020 |
| A systems biology approach to identify the key targets of curcumin and capsaicin that downregulate pro-inflammatory pathways in human monocytes SB Shekarappa, S Kandagalla, VH Malojirao, PK GS, BT Prabhakar, ... Computational biology and chemistry 83, 107162, 2019 | 4 | 2019 |
| Studies o n anti-inflammatory effect of Mesua ferrea Linn. in acute and chronic inflammation o f experimental animals R Prathima, H Manjunatha, V Krishna, S Kandagalla, BS Sharath Int. J. Pharm. Sci. Rev. Res 9 (2), 517-525, 2018 | 4 | 2018 |
| Anti-neoplastic pharmacophore benzophenone-1 coumarin (BP-1C) targets JAK2 to induce apoptosis in lung cancer A Sherapura, VH Malojirao, P Thirusangu, BS Sharath, S Kandagalla, ... Apoptosis, 1-21, 2022 | 3 | 2022 |
| Network pharmacology approach uncovering pathways involved in targeting Hsp90 through curcumin and epigallocatechin to control inflammation U Hani, S Kandagalla, M Hanumanthappa Current drug discovery technologies 18 (1), 127-138, 2019 | 3 | 2019 |
| Protein interaction network analysis of TGF-β signalling pathway enabled EMT process to anticipate the anticancer activity of curcumin S Kandagalla, BS Sharath, BR Bharath, G Pavan, H Manjunatha International Journal of Computational Biology and Drug Design 12 (1), 54-79, 2019 | 3 | 2019 |
| Development of machine learning models based on molecular fingerprints for selection of small molecule inhibitors against JAK2 protein SB Shekarappa, S Kandagalla, J Lee Journal of Computational Chemistry, 2023 | 2 | 2023 |
Maria GrishinaЮУрГУ, высшая медико-биологическая школа, лаборатория компьютерного моделирования лекарственных средствVerified email at susu.ru
