Andrew W. Munro
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View article: Fragment-Based Development of Small Molecule Inhibitors Targeting <i>Mycobacterium tuberculosis</i> Cholesterol Metabolism
Fragment-Based Development of Small Molecule Inhibitors Targeting <i>Mycobacterium tuberculosis</i> Cholesterol Metabolism Open
Tuberculosis is the deadliest infectious disease in history and new drugs are urgently required to combat multidrug-resistant (MDR) strains of Mycobacterium tuberculosis (Mtb). Here, we exploit the relience of Mtb on host-derived cholester…
View article: Fragment-based development of small molecule inhibitors targeting <i>Mycobacterium tuberculosis</i> cholesterol metabolism
Fragment-based development of small molecule inhibitors targeting <i>Mycobacterium tuberculosis</i> cholesterol metabolism Open
Mycobacterium tuberculosis ( Mtb ) is the world’s most deadly infectious pathogen and new drugs are urgently required to combat the emergence of multi-(MDR) and extensively-(XDR) drug resistant strains. The bacterium specifically upregulat…
View article: Structure Based Discovery of Inhibitors of CYP125 and CYP142 from <i>Mycobacterium tuberculosis</i>
Structure Based Discovery of Inhibitors of CYP125 and CYP142 from <i>Mycobacterium tuberculosis</i> Open
Mycobacterium tuberculosis ( Mtb ) was responsible for approximately 1.6 million deaths in 2021. With the emergence of extensive drug resistance, novel therapeutic agents are urgently needed, and continued drug discovery efforts required. …
View article: Computation-Aided Engineering of Cytochrome P450 for the Production of Pravastatin
Computation-Aided Engineering of Cytochrome P450 for the Production of Pravastatin Open
CYP105AS1 is a cytochrome P450 from Amycolatopsis orientalis that catalyzes monooxygenation of compactin to 6-epi-pravastatin. For fermentative production of the cholesterol-lowering drug pravastatin, the stereoselectivity of the enzyme ne…
Sixty years of second language aptitude research: A systematic quantitative literature review Open
Second language (L2) aptitude has been broadly defined as the rate and ease of initially acquiring a second language. Historically, L2 aptitude has been understood as a stable trait that predetermined L2 achievement, regardless of individu…
View article: A Promiscuous Bacterial P450: The Unparalleled Diversity of BM3 in Pharmaceutical Metabolism
A Promiscuous Bacterial P450: The Unparalleled Diversity of BM3 in Pharmaceutical Metabolism Open
CYP102A1 (BM3) is a catalytically self-sufficient flavocytochrome fusion protein isolated from Bacillus megaterium, which displays similar metabolic capabilities to many drug-metabolizing human P450 isoforms. BM3′s high catalytic efficienc…
Catalytic Mechanism of Aromatic Nitration by Cytochrome P450 TxtE: Involvement of a Ferric-Peroxynitrite Intermediate Open
The cytochromes P450 are heme-dependent enzymes that catalyze many vital reaction processes in the human body related to biodegradation and biosynthesis. They typically act as mono-oxygenases; however, the recently discovered P450 subfamil…
Clobetasol Propionate Is a Heme-Mediated Selective Inhibitor of Human Cytochrome P450 3A5 Open
The human cytochrome P450 (CYP) enzymes CYP3A4 and CYP3A5 metabolize most drugs and have high similarities in their structure and substrate preference. Whereas CYP3A4 is predominantly expressed in the liver, CYP3A5 is upregulated in cancer…
View article: Structure–Activity Relationships of <i>cyclo</i>(<scp>l</scp>-Tyrosyl-<scp>l</scp>-tyrosine) Derivatives Binding to <i>Mycobacterium tuberculosis</i> CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct
Structure–Activity Relationships of <i>cyclo</i>(<span>l</span>-Tyrosyl-<span>l</span>-tyrosine) Derivatives Binding to <i>Mycobacterium tuberculosis</i> CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct Open
A series of analogues of cyclo(l-tyrosyl-l-tyrosine), the substrate of the Mycobacterium tuberculosis enzyme CYP121, have been synthesized and analyzed by UV-vis and electron paramagnetic resonance spectroscopy and by X-ray crystallography…
MhuD from <i>Mycobacterium tuberculosis</i>: Probing a Dual Role in Heme Storage and Degradation Open
The Mycobacterium tuberculosis (Mtb) heme oxygenase MhuD liberates free iron by degrading heme to the linear tetrapyrrole mycobilin. The MhuD dimer binds up to two hemes within the active site of each monomer. Binding the first solvent-exp…
View article: Design and Synthesis of Imidazole and Triazole Pyrazoles as <i>Mycobacterium Tuberculosis</i> CYP121A1 Inhibitors
Design and Synthesis of Imidazole and Triazole Pyrazoles as <i>Mycobacterium Tuberculosis</i> CYP121A1 Inhibitors Open
The emergence of untreatable drug‐resistant strains of Mycobacterium tuberculosis is a major public health problem worldwide, and the identification of new efficient treatments is urgently needed. Mycobacterium tuberculosis cytochrome P450…
View article: P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping
P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping Open
Cytochrome P450 monooxygenases play a crucial role in the biosynthesis of many natural products and in the human metabolism of numerous pharmaceuticals. This has inspired synthetic organic and medicinal chemists to exploit them as catalyst…
View article: Structure and function of the cytochrome P450 peroxygenase enzymes
Structure and function of the cytochrome P450 peroxygenase enzymes Open
The cytochromes P450 (P450s or CYPs) constitute a large heme enzyme superfamily, members of which catalyze the oxidative transformation of a wide range of organic substrates, and whose functions are crucial to xenobiotic metabolism and ste…
View article: Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation
Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation Open
Three series of biarylpyrazole imidazole and triazoles are described, which vary in the linker between the biaryl pyrazole and imidazole/triazole group. The imidazole and triazole series with the short -CH2- linker displayed promising anti…
View article: Expression, Purification, and Biochemical Characterization of the Flavocytochrome P450 CYP505A30 from <i>Myceliophthora thermophila</i>
Expression, Purification, and Biochemical Characterization of the Flavocytochrome P450 CYP505A30 from <i>Myceliophthora thermophila</i> Open
The cytochrome P450/P450 reductase fusion enzyme CYP505A30 from the thermophilic fungus Myceliophthora thermophila and its heme (P450) domain were expressed in Escherichia coli and purified using affinity, ion exchange, and size exclusion …
View article: Effect of DMSO on Protein Structure and Interactions Assessed by Collision-Induced Dissociation and Unfolding
Effect of DMSO on Protein Structure and Interactions Assessed by Collision-Induced Dissociation and Unfolding Open
Given the frequent use of DMSO in biochemical and biophysical assays, it is desirable to understand the influence of DMSO concentration on the dissociation or unfolding behavior of proteins. In this study, the effects of DMSO on the struct…
View article: Fragment Profiling Approach to Inhibitors of the Orphan <i>M. tuberculosis</i> P450 CYP144A1
Fragment Profiling Approach to Inhibitors of the Orphan <i>M. tuberculosis</i> P450 CYP144A1 Open
Similarity between the ligand binding profiles of enzymes may aid functional characterization and be of greater relevance to inhibitor development than sequence similarity or structural homology. Fragment screening is an efficient approach…
View article: Production of alkenes and novel secondary products by P450 Ole<scp>T<sub>JE</sub></scp> using novel H<sub>2</sub>O<sub>2</sub>‐generating fusion protein systems
Production of alkenes and novel secondary products by P450 Ole<span>T<sub>JE</sub></span> using novel H<sub>2</sub>O<sub>2</sub>‐generating fusion protein systems Open
Jeotgalicoccus sp. 8456 Ole T JE ( CYP 152L1) is a fatty acid decarboxylase cytochrome P450 that uses hydrogen peroxide (H 2 O 2 ) to catalyse production of terminal alkenes, which are industrially important chemicals with biofuel applicat…
View article: Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE
Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE Open
The Jeotgalicoccus sp. peroxygenase cytochrome P450 OleTJE (CYP152L1) is a hydrogen peroxide-driven oxidase that catalyzes oxidative decarboxylation of fatty acids, producing terminal alkenes with applications as fine chemicals and biofuel…
View article: Corrigendum: Substrate Fragmentation for the Design of <i>M. tuberculosis</i> CYP121 Inhibitors
Corrigendum: Substrate Fragmentation for the Design of <i>M. tuberculosis</i> CYP121 Inhibitors Open
The authors would like to make the following corrections to the original manuscript. The data and conclusions discussed in the text remain unchanged by this Corrigendum: a) On page 1927, left column, paragraph 1, the sentences that read “D…