2024
AutoDock-SS: AutoDock for Multiconformational Ligand-based Virtual Screening
π
Ni, B., Wang, H., Khalaf, H. K. S., Blay, V. & Houston, D. R., 13 May 2024
Journal of Chemical Information and Modeling. 64, 9, p. 3779-3789 11 p.
Revealing the Indispensable Role of the RFamide Functionality using a Novel Acid Labile Benzofuranone based Amine (ALBA) Linker
π
Mudd, G., Hendrikse, M., Shave, S., Houston, D. R., Millar, R. P. & Auer, M., 15 Apr 2024
Helvetica Chimica Acta. 107, 4, 7 p., e202300204.
2023
From Intuition to AI: Evolution of Small Molecule Representations in Drug Discovery
π
McGibbon, M., Shave, S., Dong, J., Gao, Y., Houston, D. R., Xie, J., Yang, Y., Schwaller, P. & Blay, V., 29 Nov 2023
Briefings in bioinformatics. 25, 1, 13 p., bbad422.
OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique
π
Chen, Y-K., Houston, D. R., Auer, M. & Shave, S., 9 Nov 2023
The Journal of Open Source Software. 8, 91, 5 p., 5763.
2022
Comparison of ATP-binding pockets and discovery of homologous recombination Inhibitors
π
Blay, V., Gailiunaite, S., Lee, C-Y., Chang, H-Y., Hupp, T., Houston, D. R. & Chi, P., 15 Sept 2022
Bioorganic and Medicinal Chemistry. 74, 116923.
SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation
π
McGibbon, M., Money-Kyrle, S., Blay, V. & Houston, D. R., 25 Jul 2022
Journal of Advanced Research.
Evidence that nuclear receptors are related to terpene synthases
π
Houston, D. R., Hanna, J., Lathe, J. C., Hillier, S. & Lathe, R., 14 Mar 2022
Journal of molecular endocrinology. p. 153-166
A 5-FU precursor designed to evade anabolic and catabolic drug pathways and activated by Pd chemistry in vitro and in vivo
π
Adam, C., Bray, T., Perez-Lopez, A., Tan, E. H., Rubio Ruiz, B., Baillache, D., Houston, D. R., Salji, M. J., Leung, H. Y. & Unciti-Broceta, A., 13 Jan 2022
Journal of Medicinal Chemistry. 65, 1, p. 552-561
2021
Modelling of Hepatitis E virus RNA-dependent RNA polymerase genotype 3 from a chronic patient and in silico interaction analysis by molecular docking with Ribavirin
π
Cancela, F., Rendon Marin, S., Quintero-Gil, C., Houston, D. R., Gumbis, G., Panzera, Y., Arbiza, J., Mirazo, S. & PΓ©rez, R., 3 Dec 2021
Journal of Biomolecular Structure and Dynamics.
Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme
π
Harding, C. J., Sutherland, E., Hanna, J. G., Houston, D. R. & Czekster, C. M., 15 Jan 2021
RSC Chemical Biology. 11 p.
2020
PRL3-DDX21 transcriptional control of endolysosomal genes restricts melanocyte stem cell differentiation
π
Johansson, J., Marie, K. L., Lu, Y., Brombin, A., Santoriello, C., Zeng, Z., Zich, J., Gautier, P., von Kriegsheim, A., Brunsdon, H., Wheeler, A. P., Dreger, M., Houston, D. R., Dooley, C. M., Sims, A. H., Busch-Nentwich, E. M., Zon, L. I., Illingworth, R. & Patton, E. E., 10 Aug 2020
Developmental Cell. 54, 3, p. 317-332.E9 16 p.
Recognition dynamics of cancer mutations on the ERp57-Tapasin interface
π
Padariya, M., Kalathiya, U., Houston, D. R. & Alfaro, J. A., 20 Mar 2020
Cancers. 12, 3, 20 p.
2019
Insights into the effects of cancer associated mutations at the UPF2 and ATP binding sites of NMD master regulator: UPF1
π
Kalathiya, U., Padariya, M., Pawlicka, K., Verma, C. S., Houston, D., Hupp, T. & Alfaro, J. A., 11 Nov 2019
Design of drug-like hepsin inhibitors against prostate cancer and kidney stones
π
Blay, V., Houston, D., Li, M. C., P. Ho, S., Stoller, M. L., Hsieh, H-P. & Houston, D., 28 Sept 2019
Acta Pharmaceutica Sinica B. 10, 7, p. 1309-1320
Lamin A molecular compression and sliding as mechanisms behind nucleoskeleton elasticity
π
Makarov, A. A., Zou, J., Houston, D. R., Spanos, C., Solovyova, A. S., Cardenal-Peralta, C., Rappsilber, J. & Schirmer, E. C., 11 Jul 2019
Nature Communications. 10, 1, 17 p., 3056.
An inter-subunit protein-peptide interface that stabilizes the specific activity and oligomerization of the AAA+ chaperone Reptin
π
Coufalova, D., Remnant, L., Hernychova, L., Muller, P., Healy, A., Kannan, S., Vojtesek, B., Westwood, N., Verma, C. S., Vojtesek, B., Hupp, T. R. & Houston, D. R., 15 May 2019
Journal of proteomics. 199, p. 89-101 13 p.
Intrinsic lipid binding activity of ATG16L1 supports efficient membrane anchoring and autophagy
π
Dudley, L. J., G Cabodevilla, A., Makar, A. N., Sztacho, M., Michelberger, T., Marsh, J. A., Houston, D. R., Martens, S., Jiang, X. & Gammoh, N., 2 May 2019
EMBO Journal. 38, 9, 16 p., e100554.
Oligopeptide signaling through TbGPR89 drives Trypanosome Quorum sensing
π
Rojas, F., Silvester, E., Young, J., Milne, R., Tettey, M., Houston, D. R., Walkinshaw, M. D., PΓ©rez-Pi, I., Auer, M., Denton, H., Smith, T. K., Thompson, J. & Matthews, K. R., 10 Jan 2019
Cell. 176, 1-2, p. 306-317.e16 28 p.
2018
ALDH1 bio-activates nifuroxazide to eradicate ALDHHigh melanoma-initiating cells
π
Sarvi, S., Crispin, R., Lu, Y., Zeng, L., Hurley, T. D., Houston, D. R., von Kriegsheim, A., Chen, C-H., Mochly-Rosen, D., Ranzani, M., Mathers, M. E., Xu, X., Xu, W., Adams, D. J., Carragher, N. O., Fujita, M., Schuchter, L., Unciti-Broceta, A., Brunton, V. G. & Patton, E. E., 20 Dec 2018
Cell Chemical Biology. 25, 12, p. 1456-1469.e6 20 p.
Demonstration of the Anthelmintic Potency of Marimastat in the Heligmosomoides Polygyrus Rodent Modeling
π
Robertson, E., Harcus, Y., Johnston, C. J. C., Page, A. P., Walkinshaw, M. D., Maizels, R. M. & Houston, D., 1 Dec 2018
The journal of parasitology. 104, 6, p. 705-709 5 p.
Fatty-acylation target sequence in the ligand-binding domain of vertebrate steroid receptors demarcates evolution from estrogen-related receptors
π
Lathe, R. & Houston, D., Nov 2018, In: Journal of Steroid Biochemistry and Molecular Biology. 184, p. 20-28 9 p.,
Journal of Steroid Biochemistry and Molecular Biology. 184, p. 20-28 9 p.
Development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening
π
Myers, S., Temps, C., Houston, D., Brunton, V. G. & Unciti-Broceta, A., 21 Feb 2018
Journal of Medicinal Chemistry. 61, 5, p. 2104-2110 7 p.
2017
Mono-substituted Hydrocarbon Diastereomer Combinations Reveal Stapled Peptides with High Structural Fidelity
π
Mcwhinnie, F. S., Sepp, K., Wilson, C., Kunath, T., Hupp, T. R., Baker, T. S., Houston, D. R. & Hulme, A. N., 21 Dec 2017
Chemistry - A European Journal.
2016
Inhibitors of leishmania mexicana phosphoglycerate mutase identified by virtual screening and verified by inhibition studies
π
Fuad, F. A. A., Houston, D. R., Michels, P. A. M., Fothergill-Gilmore, L. A. & Walkinshaw, M. D., 1 Jul 2016
Journal Sains Malaysiana. 45, 7, p. 1113-1120 8 p.
Rapid Discovery and Structure-Activity Relationships of Pyrazolopyrimidines that Potently Suppress Breast Cancer Cell Growth via SRC Kinase Inhibition with Exceptional Selectivity over ABL Kinase
π
Fraser, C., Dawson, J. C., Dowling, R., Houston, D. R., Weiss, J. T., Munro, A. F., Muir, M., Harrington, L., Webster, S. P., Frame, M. C., Brunton, V. G., Patton, E. E., Carragher, N. O. & Unciti-Broceta, A., 26 May 2016
Journal of Medicinal Chemistry.
Novel triazolothiadiazines act as potent anticancer agents in liver cancer cells through Akt and ASK-1 proteins
π
AytaΓ§, P. S., Durmaz, I., Houston, D. R., Γetin-Atalay, R. & Tozkoparan, B., 15 Feb 2016
Bioorganic and Medicinal Chemistry. 24, 4, p. 858-872 15 p.
2015
Identification and activity of inhibitors of the essential nematode-specific metalloprotease DPY-31
π
France, D. J., Stepek, G., Houston, D. R., Williams, L., McCormack, G., Walkinshaw, M. D. & Page, A. P., 15 Dec 2015
Bioorganic & Medicinal Chemistry Letters. 25, 24, p. 5752-5755 4 p.
Hetero-trans-Ξ²-glucanase, an enzyme unique to Equisetum plants, functionalises cellulose
π
Simmons, T. J., Mohler, K. E., Holland, C., Goubet, F., FrankovΓ‘, L., Houston, D. R., Hudson, A. D., Meulewaeter, F. & Fry, S. C., 1 Sept 2015
The Plant Journal. 83, 5, p. 753-769 17 p.
Inhibition of the ERCC1-XPF structure-specific endonuclease to overcome cancer chemoresistance
π
McNeil, E. M., Astell, K. R., Ritchie, A-M., Shave, S., Houston, D. R., Bakrania, P., Jones, H. M., Khurana, P., Wallace, C., Chapman, T., Wear, M. A., Walkinshaw, M. D., Saxty, B. & Melton, D. W., Jul 2015
DNA Repair. 31, p. 19-28 10 p.
Development of a novel ligand that modulates the protein-protein interactions of the AAA+ superfamily oncoprotein reptin
π
Healy, A. R., Houston, D. R., Remnant, L., Huart, A. S., Brychtova, V., Maslon, M. M., Meers, O., Muller, P., Krejci, A., Blackburn, E. A., Vojtesek, B., Hernychova, L., Walkinshaw, M. D., Westwood, N. J. & Hupp, T. R., 1 May 2015
Chemical Science. 6, 5, p. 3109-3116 8 p.
Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2
π
Houston, D. R., Yen, L. H., Pettit, S. & Walkinshaw, M. D., 17 Apr 2015
PLoS ONE. 10, 4, e0121424.
UFSRAT: Ultra-fast shape recognition with atom types -The discovery of novel bioactive small molecular scaffolds for FKBP12 and 11Ξ²HSD1
π
Shave, S., Blackburn, E. A., Adie, J., Houston, D. R., Auer, M., Webster, S. P., Taylor, P. & Walkinshaw, M. D., 6 Feb 2015
PLoS ONE. 10, 2, p. e0116570
Structural Basis for the Inverted Repeat Preferences of mariner Transposases
π
Trubitsyna, M., Grey, H., Houston, D., Finnegan, D. & Richardson, J., 2015
Journal of Biological Chemistry. 290, 21, p. 13531-13540
2013
Artemisinin resistance in rodent malaria - mutation in the AP2 adaptor ΞΌ-chain suggests involvement of endocytosis and membrane protein trafficking
π
Henriques, G., Martinelli, A., Rodrigues, L., Modrzynska, K., Fawcett, R., Houston, D. R., Borges, S. T., d'Alessandro, U., Tinto, H., Karema, C., Hunt, P. & Cravo, P., 2013
Malaria Journal. 12, 118
Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context
π
Houston, D. R. & Walkinshaw, M. D., 2013
Journal of Chemical Information and Modeling. 53, 2, p. 384-390 7 p.
2012
Raf1 Is a DCAF for the Rik1 DDB1-Like Protein and Has Separable Roles in siRNA Generation and Chromatin Modification
π
Buscaino, A., White, S. A., Houston, D. R., Lejeune, E., Simmer, F., de Lima Alves, F., Diyora, P. T., Urano, T., Bayne, E., Rappsilber, J. & Allshire, R. C., Feb 2012
PLoS Genetics. 8, 2, e1002499.
2011
Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2β²β²-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases
π
Shi, K., Houston, D. R. & Berghuis, A. M., Jul 2011
Biochemistry. 50, 28, p. 6237-6244 8 p.
2006
Identification and characterization of a protein-tyrosine phosphatase in Leishmania: Involvement in virulence
π
Nascimento, M., Zhang, W. W., Ghosh, A., Houston, D. R., Berghuis, A. M., Olivier, M. & Matlashewski, G.,, 24 Nov 2006
Journal of Biological Chemistry. 281, 47, p. 36257-36268 12 p.
2005
Crystal structure and binding properties of the Serratia marcescens chitin-binding protein CBP21
π
Vaaje-Kolstad, G., Houston, D. R., Riemen, A. H. K., Eijsink, V. G. H. & Van Aalten, D. M. F.,, 25 Mar 2005
Journal of Biological Chemistry. 280, 12, p. 11313-11319 7 p.
Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases
π
Rao, F. V., Houston, D. R., Boot, R. G., Aerts, J. M. F. G., Hodkinson, M., Adams, D. J., Shiomi, K., Omura, S. & Van Aalten, D. M. F.,, 1 Jan 2005
Chemistry and Biology. 12, 1, p. 65-76 12 p.
2004
Structure-based exploration of cyclic dipeptide chitinase inhibitors
π
Houston, D. R., Synstad, B., Eijsink, V. G. H., Stark, M. J. R., Eggleston, I. M. & Van Aalten, D. M. F.,, 4 Nov 2004
Journal of Medicinal Chemistry. 47, 23, p. 5713-5720 8 p.
Interactions of a Family 18 Chitinase with the Designed Inhibitor HM508 and Its Degradation Product, Chitobiono-Ξ΄-lactone
π
Vaaje-Kolstad, G., Vasella, A., Peter, M. G., Netter, C., Houston, D. R., Westereng, B., Synstad, B., Eijsink, V. G. H. & Van Aalten, D. M. F.,, 30 Jan 2004
Journal of Biological Chemistry. 279, 5, p. 3612-3619 8 p.
Structure of the D142N mutant of the family 18 chitinase ChiB from Serratia marcescens and its complex with allosamidin
π
Vaaje-Kolstad, G., Houston, D. R., Rao, F. V., Peter, M. G., Synstad, B., Van Aalten, D. M. F. & Eijsink, V. G. H.,, 14 Jan 2004
Biochimica et Biophysica Acta - Proteins and Proteomics. 1696, 1, p. 103-111 9 p.
Research output: Contribution to journal βΊ Article βΊ peer-review
2003
Structure and ligand-induced conformational change of the 39-kDa glycoprotein from human articular chondrocytes
π
Houston, D. R., Recklies, A. D., Krupa, J. C. & Van Aalten, D. M. F.,, 8 Aug 2003
Journal of Biological Chemistry. 278, 32, p. 30206-30212 7 p.
Crystal structures of allosamidin derivatives in complex with human macrophage chitinase
π
Rao, F. V., Houston, D. R., Boot, R. G., Aerts, J. M. F. G., Sakuda, S. & Van Aalten, D. M. F.,, 30 May 2003
Journal of Biological Chemistry. 278, 22, p. 20110-20116 7 p.
2002
The cyclic dipeptide CI-4 [cyclo-(L-Arg-D-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate
π
Houston, D. R., Eggleston, I., Synstad, B., Eijsink, V. G. H. & Van Aalten, D. M. F.,, 15 Nov 2002
Biochemical Journal. 368, 1, p. 23-27 5 p.
Structure of human chitotriosidase: Implications for specific inhibitor design and function of mammalian chitinase-like lectins
π
Fusetti, F., Von Moeller, H., Houston, D., Rozeboom, H. J., Dijkstra, B. W., Boot, R. G., Aerts, J. M. F. G. & Van Aalten, D. M. F., 12 Jul 2002
Journal of Biological Chemistry. 277, 28, p. 25537-25544 8 p.
High-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: Mimicry of carbohydrate substrate
π
Houston, D. R., Shiomi, K., Arai, N., Omura, S., Peter, M. G., Turberg, A., Synstad, B., Eijsink, V. G. H. & Van Aalten, D. M. F., 9 Jul 2002
Proceedings of the National Academy of Sciences (PNAS). 99, 14, p. 9127-9132 6 p.
