Lokhande KB - Search Results

1

Exploring the DPP IV inhibitory potential: molecular docking and dynamic simulations of pyridine-3-carboxylic acid and pyrrolidine-2-carboxylic acid analogs.

Puranik HH, Thomas AB, Lokhande KB, Shrivastava A, Singh A, Swamy VK, Chitlange SS. Puranik HH, et al. Among authors: lokhande kb. J Biomol Struct Dyn. 2024 Dec 13:1-21. doi: 10.1080/07391102.2024.2439579. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 39671243

2

Evaluation of immune evasion in SARS-CoV-2 Delta and Omicron variants.

Chaudhari AM, Joshi M, Kumar D, Patel A, Lokhande KB, Krishnan A, Hanack K, Filipek S, Liepmann D, Renugopalakrishnan V, Paulmurugan R, Joshi C. Chaudhari AM, et al. Among authors: lokhande kb. Comput Struct Biotechnol J. 2022;20:4501-4516. doi: 10.1016/j.csbj.2022.08.010. Epub 2022 Aug 8. Comput Struct Biotechnol J. 2022. PMID: 35965661 Free PMC article.

3

Computational data of phytoconstituents from Hibiscus rosa-sinensis on various anti-obesity targets.

Gandhi SP, Lokhande KB, Swamy VK, Nanda RK, Chitlange SS. Gandhi SP, et al. Among authors: lokhande kb. Data Brief. 2019 May 16;24:103994. doi: 10.1016/j.dib.2019.103994. eCollection 2019 Jun. Data Brief. 2019. PMID: 31193691 Free PMC article.

4

Data on docking of phytoconstituents of Actinidia deliciosa on dengue viral targets.

Chandani SR, Lokhande KB, Swamy KV, Nanda RK, Chitlange SS. Chandani SR, et al. Among authors: lokhande kb. Data Brief. 2019 May 17;25:103996. doi: 10.1016/j.dib.2019.103996. eCollection 2019 Aug. Data Brief. 2019. PMID: 31338396 Free PMC article.

5

Molecular docking and simulation studies on SARS-CoV-2 M^pro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19.

Lokhande KB, Doiphode S, Vyas R, Swamy KV. Lokhande KB, et al. J Biomol Struct Dyn. 2021 Nov;39(18):7294-7305. doi: 10.1080/07391102.2020.1805019. Epub 2020 Aug 20. J Biomol Struct Dyn. 2021. PMID: 32815481 Free PMC article.

6

Antioxidant, anti-quorum sensing, biofilm inhibitory activities and chemical composition of Patchouli essential oil: in vitro and in silico approach.

Mansuri A, Lokhande K, Kore S, Gaikwad S, Nawani N, Swamy KV, Junnarkar M, Pawar S. Mansuri A, et al. J Biomol Struct Dyn. 2022 Jan;40(1):154-165. doi: 10.1080/07391102.2020.1810124. Epub 2020 Aug 24. J Biomol Struct Dyn. 2022. PMID: 32838699

7

Probing intermolecular interactions and binding stability of kaempferol, quercetin and resveratrol derivatives with PPAR-γ: docking, molecular dynamics and MM/GBSA approach to reveal potent PPAR- γ agonist against cancer.

Lokhande KB, Ballav S, Yadav RS, Swamy KV, Basu S. Lokhande KB, et al. J Biomol Struct Dyn. 2022 Feb;40(3):971-981. doi: 10.1080/07391102.2020.1820380. Epub 2020 Sep 21. J Biomol Struct Dyn. 2022. PMID: 32954977

8

Sensing the interactions between carbohydrate-binding agents and N-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation studies.

Lokhande KB, Apte GR, Shrivastava A, Singh A, Pal JK, K Venkateswara Swamy, Gupta RK. Lokhande KB, et al. J Biomol Struct Dyn. 2022 Jun;40(9):3880-3898. doi: 10.1080/07391102.2020.1851303. Epub 2020 Dec 9. J Biomol Struct Dyn. 2022. PMID: 33292056 Free PMC article.

9

Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approach.

Lokhande K, Nawani N, K Venkateswara S, Pawar S. Lokhande K, et al. J Biomol Struct Dyn. 2022 Jul;40(10):4376-4388. doi: 10.1080/07391102.2020.1858165. Epub 2020 Dec 10. J Biomol Struct Dyn. 2022. PMID: 33300454 Free PMC article.

10

Transferrin binding protein-B from Neisseria meningitidis C as a novel carrier protein in glycoconjugate preparation: an in silico approach.

Karale A, Lokhande KB, Shende N, Swamy KV, Dhere R, Nawani N, Mallya A. Karale A, et al. Among authors: lokhande kb. J Biomol Struct Dyn. 2022;40(24):13812-13822. doi: 10.1080/07391102.2021.1994878. Epub 2021 Nov 2. J Biomol Struct Dyn. 2022. PMID: 34726113

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