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 …
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 …
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
Two series of quinazolinone derivatives were designed and synthesized as dihydrofolate
reductase (DHFR) inhibitors. All compounds were evaluated for their antibacterial and …
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 …
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 …
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
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 …
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 …
Nontuberculous mycobacteria (NTM) are emerging human pathogens linked to severe
pulmonary diseases. Current treatments involve the prolonged use of multiple drugs and are …
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 …
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 …
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 …
treatment duration than other bacterial infections. The current treatment regime is prolonged …