How to Find a Fragment: Methods for Screening and Validation in Fragment‐Based Drug Discovery

T Kirkman, C dos Santos Silva, M Tosin… - …, 2024 - Wiley Online Library
Fragment‐based drug discovery (FBDD) is a crucial strategy for develo** new drugs that
have been applied to diverse targets, from neglected infectious diseases to cancer. With at …

Recent advances in Fragment-based strategies against tuberculosis

B Villemagne, L Faïon, S Tangara, N Willand - European Journal of …, 2023 - Elsevier
Tuberculosis remains one of the world's leading infectious disease killers, causing more
than 1.5 million of deaths each year. It is therefore a priority to discover and develop new …

Design, synthesis, anticancer, and antibacterial evaluation of some quinazolinone‐based derivatives as DHFR inhibitors

EO Osman, SH Emam, A Sonousi… - Drug Development …, 2023 - Wiley Online Library
Two series of quinazolinone derivatives were designed and synthesized as dihydrofolate
reductase (DHFR) inhibitors. All compounds were evaluated for their antibacterial and …

[HTML][HTML] A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis

P Gupta, SE Thomas, SA Zaidan, MA Pasillas… - Computational and …, 2021 - Elsevier
The L-arginine biosynthesis pathway consists of eight enzymes that catalyse the conversion
of L-glutamate to L-arginine. Arginine auxotrophs (argB/argF deletion mutants) of …

Identification and evaluation of brominated carbazoles as a novel antibiotic adjuvant scaffold in MRSA

R Berndsen, T Cunningham, L Kaelin… - ACS Medicinal …, 2022 - ACS Publications
Antibiotic-resistant infections are a pressing global concern, causing millions of deaths each
year. Methicillin-resistant Staphylococcus aureus (MRSA) is a leading cause of nosocomial …

Kinetic Barrier to Enzyme Inhibition Is Manipulated by Dynamical Local Interactions in E. coli DHFR

E Cetin, TF Guclu, I Kantarcioglu… - Journal of Chemical …, 2023 - ACS Publications
Dihydrofolate reductase (DHFR) is an important drug target and a highly studied model
protein for understanding enzyme dynamics. DHFR's crucial role in folate synthesis renders …

Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium, Two Emerging Human …

M Andrade Meirelles, VM Almeida… - Journal of Medicinal …, 2024 - ACS Publications
Nontuberculous mycobacteria (NTM) are emerging human pathogens linked to severe
pulmonary diseases. Current treatments involve the prolonged use of multiple drugs and are …

Identification of selective mtbDHFR inhibitors by virtual screening and experimental approaches

J He, C Li, W Hu, C Li, S Liu, J Sui… - Chemical Biology & …, 2022 - Wiley Online Library
Abstract mtbDHFR‐targeting inhibition has become a promising approach for tuberculosis
treatment. In the current research, a multi‐step virtual screening effort toward ZINC and MCE …

Design, Synthesis, and Biological Evaluation of 5-(5-Iodo-2-isopropyl-4-methoxyphenoxy) pyrimidine-2, 4-diamine (AF-353) Derivatives as Novel DHFR Inhibitors …

Z Huang, X Gou, X Hang, T Shi, J Yang… - Journal of Medicinal …, 2024 - ACS Publications
The high lethality of Staphylococcus aureus infections and the emergence of antibiotic
resistance make the development of new antibiotics urgent. Our previous work identified a …

Recent Cutting‐Edge Designing Strategies for Mtb‐DHFR Inhibitors as Antitubercular Agents

NG Sonawane, A Thakur, AKS Pillai… - Chemical Biology & …, 2024 - Wiley Online Library
Tuberculosis (TB) is an obstinate and infectious disease requiring a relatively longer
treatment duration than other bacterial infections. The current treatment regime is prolonged …