Lobb KA - Search Results

1

Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs.

Musyoka TM, Kanzi AM, Lobb KA, Tastan Bishop Ö. Musyoka TM, et al. Among authors: lobb ka. Sci Rep. 2016 Mar 31;6:23690. doi: 10.1038/srep23690. Sci Rep. 2016. PMID: 27030511 Free PMC article.

2

SANCDB: a South African natural compound database.

Hatherley R, Brown DK, Musyoka TM, Penkler DL, Faya N, Lobb KA, Tastan Bishop Ö. Hatherley R, et al. Among authors: lobb ka. J Cheminform. 2015 Jun 19;7:29. doi: 10.1186/s13321-015-0080-8. eCollection 2015. J Cheminform. 2015. PMID: 26097510 Free PMC article.

3

Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow.

Musyoka TM, Kanzi AM, Lobb KA, Tastan Bishop Ö. Musyoka TM, et al. Among authors: lobb ka. J Biomol Struct Dyn. 2016 Oct;34(10):2084-101. doi: 10.1080/07391102.2015.1108231. Epub 2016 Jan 28. J Biomol Struct Dyn. 2016. PMID: 26471975 Free PMC article.

4

High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV.

Beg A, Khan FI, Lobb KA, Islam A, Ahmad F, Hassan MI. Beg A, et al. Among authors: lobb ka. J Biomol Struct Dyn. 2019 May;37(8):2179-2192. doi: 10.1080/07391102.2018.1479310. Epub 2018 Nov 1. J Biomol Struct Dyn. 2019. PMID: 30044185

5

Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Plasmodium falciparum Hsp70s.

Amusengeri A, Astl L, Lobb K, Verkhivker GM, Tastan Bishop Ö. Amusengeri A, et al. Int J Mol Sci. 2019 Nov 8;20(22):5574. doi: 10.3390/ijms20225574. Int J Mol Sci. 2019. PMID: 31717270 Free PMC article.

6

Potential repurposing of four FDA approved compounds with antiplasmodial activity identified through proteome scale computational drug discovery and in vitro assay.

Diallo BN, Swart T, Hoppe HC, Tastan Bishop Ö, Lobb K. Diallo BN, et al. Sci Rep. 2021 Jan 14;11(1):1413. doi: 10.1038/s41598-020-80722-2. Sci Rep. 2021. PMID: 33446838 Free PMC article.

7

SANCDB: an update on South African natural compounds and their readily available analogs.

Diallo BN, Glenister M, Musyoka TM, Lobb K, Tastan Bishop Ö. Diallo BN, et al. J Cheminform. 2021 May 5;13(1):37. doi: 10.1186/s13321-021-00514-2. J Cheminform. 2021. PMID: 33952332 Free PMC article.

8

Force Field Parameters for Fe²⁺₄S^2-₄ Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies.

Tendwa MB, Chebon-Bore L, Lobb K, Musyoka TM, Tastan Bishop Ö. Tendwa MB, et al. Molecules. 2021 May 14;26(10):2929. doi: 10.3390/molecules26102929. Molecules. 2021. PMID: 34069161 Free PMC article.

9

Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies.

Khan S, Khan FI, Mohammad T, Khan P, Hasan GM, Lobb KA, Islam A, Ahmad F, Imtaiyaz Hassan M. Khan S, et al. Among authors: lobb ka. Int J Biol Macromol. 2018 May;111:548-560. doi: 10.1016/j.ijbiomac.2017.12.160. Epub 2018 Jan 10. Int J Biol Macromol. 2018. PMID: 29329815

10

Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4).

Mohammad T, Khan FI, Lobb KA, Islam A, Ahmad F, Hassan MI. Mohammad T, et al. Among authors: lobb ka. J Biomol Struct Dyn. 2019 Apr;37(7):1813-1829. doi: 10.1080/07391102.2018.1468282. Epub 2018 May 24. J Biomol Struct Dyn. 2019. PMID: 29683402

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