Lokwani D - Search Results

1

In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2.

Rudrapal M, Issahaku AR, Agoni C, Bendale AR, Nagar A, Soliman MES, Lokwani D. Rudrapal M, et al. Among authors: lokwani d. J Biomol Struct Dyn. 2022;40(20):10437-10453. doi: 10.1080/07391102.2021.1944909. Epub 2021 Jun 28. J Biomol Struct Dyn. 2022. PMID: 34182889

2

BREED based de novo hybridization approach: generating novel T790M/C797S-EGFR tyrosine kinase inhibitors to overcome the problem of mutation and resistance in non small cell lung cancer (NSCLC).

Patel HM, Shaikh M, Ahmad I, Lokwani D, Surana SJ. Patel HM, et al. Among authors: lokwani d. J Biomol Struct Dyn. 2021 May;39(8):2838-2856. doi: 10.1080/07391102.2020.1754918. Epub 2020 Apr 23. J Biomol Struct Dyn. 2021. PMID: 32276580

3

Development of triple mutant T790M/C797S allosteric EGFR inhibitors: a computational approach.

Karnik KS, Sarkate AP, Lokwani DK, Narula IS, Burra PVLS, Wakte PS. Karnik KS, et al. J Biomol Struct Dyn. 2021 Sep;39(15):5376-5398. doi: 10.1080/07391102.2020.1786460. Epub 2020 Jul 1. J Biomol Struct Dyn. 2021. PMID: 32608331

4

Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in silico molecular docking and dynamic simulation studies.

Dhote AM, Patil VR, Lokwani DK, Amnerkar ND, Ugale VG, Charbe NB, Bhongade BA, Khadse SC. Dhote AM, et al. Among authors: lokwani dk. J Biomol Struct Dyn. 2022;40(22):11914-11931. doi: 10.1080/07391102.2021.1965912. Epub 2021 Aug 25. J Biomol Struct Dyn. 2022. PMID: 34431452

5

In silico approach towards polyphenols as targeting glucosamine-6-phosphate synthase for Candida albicans.

Dhawale S, Pandit M, Thete K, Ighe D, Gawale S, Bhosle P, Lokwani DK. Dhawale S, et al. Among authors: lokwani dk. J Biomol Struct Dyn. 2023;41(21):12038-12054. doi: 10.1080/07391102.2022.2164797. Epub 2023 Jan 11. J Biomol Struct Dyn. 2023. PMID: 36629053

6

Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.

Patil VR, Dhote AM, Patil R, Amnerkar ND, Lokwani DK, Ugale VG, Charbe NB, Firke SD, Chaudhari P, Shah SK, Mehta CH, Nayak UY, Khadse SC. Patil VR, et al. Among authors: lokwani dk. J Biomol Struct Dyn. 2023;41(22):13168-13179. doi: 10.1080/07391102.2023.2175377. Epub 2023 Feb 9. J Biomol Struct Dyn. 2023. PMID: 36757134

7

In-silico studies of 2-aminothiazole derivatives as anticancer agents by QSAR, molecular docking, MD simulation and MM-GBSA approaches.

Chitre TS, Hirode PV, Lokwani DK, Bhatambrekar AL, Hajare SG, Thorat SB, Priya D, Pradhan KB, Asgaonkar KD, Jain SP. Chitre TS, et al. Among authors: lokwani dk. J Biomol Struct Dyn. 2023 Oct 9:1-19. doi: 10.1080/07391102.2023.2262594. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37811574

8

Molecular dynamic simulations based discovery and development of thiazolidin-4-one derivatives as EGFR inhibitors targeting resistance in non-small cell lung cancer (NSCLC).

Karnik KS, Sarkate AP, Lokwani DK, Tiwari SV, Azad R, Wakte PS. Karnik KS, et al. J Biomol Struct Dyn. 2023 Jul;41(10):4696-4710. doi: 10.1080/07391102.2022.2071339. Epub 2022 May 9. J Biomol Struct Dyn. 2023. PMID: 35532095

9

One pot synthesis, in silico study and evaluation of some novel flavonoids as potent topoisomerase II inhibitors.

Sarkate AP, Dofe VS, Tiwari SV, Lokwani DK, Karnik KS, Kamble DD, Ansari MHSH, Dodamani S, Jalalpure SS, Sangshetti JN, Azad R, Burra PVLS, Bhandari SV. Sarkate AP, et al. Among authors: lokwani dk. Bioorg Med Chem Lett. 2021 May 15;40:127916. doi: 10.1016/j.bmcl.2021.127916. Epub 2021 Mar 6. Bioorg Med Chem Lett. 2021. PMID: 33689875

10

Design and synthesis of novel conformationally constrained 7,12-dihydrodibenzo[b,h][1,6] naphthyridine and 7H-Chromeno[3,2-c] quinoline derivatives as topoisomerase I inhibitors: In vitro screening, molecular docking and ADME predictions.

Kardile RA, Sarkate AP, Borude AS, Mane RS, Lokwani DK, Tiwari SV, Azad R, Burra PVLS, Thopate SR. Kardile RA, et al. Bioorg Chem. 2021 Oct;115:105174. doi: 10.1016/j.bioorg.2021.105174. Epub 2021 Jul 16. Bioorg Chem. 2021. PMID: 34314913

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