Targeting metalloenzymes for therapeutic intervention

AY Chen, RN Adamek, BL Dick, CV Credille… - Chemical …, 2018 - ACS Publications
Metalloenzymes are central to a wide range of essential biological activities, including
nucleic acid modification, protein degradation, and many others. The role of metalloenzymes …

Unpacking the Pathogen Box—an open source tool for fighting neglected tropical disease

CGL Veale - ChemMedChem, 2019 - Wiley Online Library
Abstract The Pathogen Box is a 400‐strong collection of drug‐like compounds, selected for
their potential against several of the world's most important neglected tropical diseases …

Design, synthesis and biological evaluation of substituted 3-amino-N-(thiazol-2-yl) pyrazine-2-carboxamides as inhibitors of mycobacterial methionine …

M Juhás, VSK Pallabothula, K Grabrijan… - Bioorganic …, 2022 - Elsevier
Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb) is the number one cause of
deaths due to a single infectious agent worldwide. The treatment of TB is lengthy and often …

High throughput screen identifies small molecule inhibitors specific for Mycobacterium tuberculosis phosphoserine phosphatase

G Arora, P Tiwari, RS Mandal, A Gupta… - Journal of Biological …, 2014 - ASBMB
The emergence of drug-resistant strains of Mycobacterium tuberculosis makes identification
and validation of newer drug targets a global priority. Phosphoserine phosphatase (PSP), a …

Advances in bacterial methionine aminopeptidase inhibition

TR Helgren, P Wangtrakuldee… - Current topics in …, 2016 - ingentaconnect.com
Methionine aminopeptidases (MetAPs) are metalloenzymes that cleave the N-terminal
methionine from newly synthesized peptides and proteins. These MetAP enzymes are …

Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and …

J Weako, AI Uba, Ö Keskin, A Gürsoy… - Computational Biology and …, 2020 - Elsevier
Abstract Methionine Aminopeptidases MetAPs are divalent-cofactor dependent enzymes
that are responsible for the cleavage of the initiator Methionine from the nascent …

Antibacterial epipolythiodioxopiperazine and unprecedented sesquiterpene from Pseudallescheria boydii, a beetle (coleoptera)-associated fungus

Q Wu, N Jiang, WB Han, YN Mei, HM Ge… - Organic & …, 2014 - pubs.rsc.org
Pseudallescheria boydii residing in the gut of coleopteran (Holotrichia parallela) larva
produces four new epipolythiodioxopiperazine (ETP) boydines A–D (3–6) and two novel …

Attempting Well-Tempered Funnel Metadynamics Simulations for the Evaluation of the Binding Kinetics of Methionine Aminopeptidase-II Inhibitors

Rubina, ST Moin - Journal of Chemical Information and Modeling, 2023 - ACS Publications
Understanding the unbinding kinetics of protein–ligand complexes is considered a
significant approach for the design of ligands with desired specificity and safety. In recent …

Identification of a Cryptic Pocket in Methionine Aminopeptidase-II Using Adaptive Bandit Molecular Dynamics Simulations and Markov State Models

Rubina, ST Moin, S Haider - ACS Omega, 2024 - ACS Publications
Methionine aminopeptidase-II (MetAP-II) is a metalloprotease, primarily responsible for the
cotranslational removal of the N-terminal initiator methionine from the nascent polypeptide …

Diketo acids and their amino acid/dipeptidic analogues as promising scaffolds for the development of bacterial methionine aminopeptidase inhibitors

MM Masood, VK Pillalamarri, M Irfan, B Aneja… - RSC Advances, 2015 - pubs.rsc.org
Using diketoesters as the template, various derivatives were designed and the selected
compounds were synthesized as bacterial methionine aminopeptidase (MetAP) inhibitors …