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NeuroClick: software for mimicking click reaction to generate drug-like molecules permeating the blood–brain barrier
NeuroClick: software for mimicking click reaction to generate drug-like molecules permeating the blood–brain barrier
Background: Traditional methods for chemical library generation in virtual screening often impose limitations on the acces...
Unsymmetrical thiourea derivatives: synthesis and evaluation as promising antioxidant and enzyme inhibitors
Unsymmetrical thiourea derivatives: synthesis and evaluation as promising antioxidant and enzyme inhibitors
Background: Unsymmetrical thioureas 1–20 were synthesized and then characterized by various spectroscopy techniques such a...
BioPrint meets the AI age: development of artificial intelligence-based ADMET models for the drug discovery platform SAFIRE
BioPrint meets the AI age: development of artificial intelligence-based ADMET models for the drug discovery platform SAFIRE
Background: To prioritize compounds with a higher likelihood of success, artificial intelligence models can be used to pre...
Insights on synthetic strategies and structure-activity relationship of donepezil and its derivatives
Insights on synthetic strategies and structure-activity relationship of donepezil and its derivatives
This comprehensive review focuses on the synthesis and derivatives of donepezil, a pivotal Alzheimer’s disease (AD) ...
Targeting disease with benzoxazoles: a comprehensive review of recent developments
Targeting disease with benzoxazoles: a comprehensive review of recent developments
Benzoxazole is an attractive scaffold in medicinal chemistry due to its diverse biological applications. From 2016 to 2023...
Synthesis, characterization, and anticancer activity of syringaldehyde-derived chalcones against female cancers
Synthesis, characterization, and anticancer activity of syringaldehyde-derived chalcones against female cancers
A series of novel chalcone analogs derived from syringaldehyde have been synthesized through acid or base-catalyzed aldol ...
Synthesis and pharmacological activities of Schiff bases with some transition metal complexes: a review
Synthesis and pharmacological activities of Schiff bases with some transition metal complexes: a review
Schiff bases transition metal complexes have received significant attentions in the scientific community for their versati...
Recent advances on the development of NO-releasing molecules (NORMs) for biomedical applications
Recent advances on the development of NO-releasing molecules (NORMs) for biomedical applications
Nitric oxide or nitrogen monoxide (NO), a gaseous radical molecule, was discovered by Joseph Priestly in 1772 when the sig...
Effect of anti-COVID-19 drugs on patients with cancer
Effect of anti-COVID-19 drugs on patients with cancer
The clinical treatment of patients with cancer who are also diagnosed with coronavirus disease (COVID-19) has been a chall...
Discovery of novel pyrrolo[2,3-d]pyrimidines as potent menin-mixed lineage leukemia interaction inhibitors
Discovery of novel pyrrolo[2,3-d]pyrimidines as potent menin-mixed lineage leukemia interaction inhibitors
The mixed-lineage leukemia 1 (MLL or MLL1) fusion oncogene is located on chromosome 11q23 and is also known as lysine meth...
Does size matter? – Comparing pyranoses with septanoses as ligands of the bacterial lectin FimH
Does size matter? – Comparing pyranoses with septanoses as ligands of the bacterial lectin FimH
Many biological surfaces are densely covered with a layer of carbohydrates, the so-called glycocalyx [1]. Recognition of t...
Identification of the exosomal PD-L1 inhibitor to promote the PD-1 targeting therapy of gastric cancer
Identification of the exosomal PD-L1 inhibitor to promote the PD-1 targeting therapy of gastric cancer
Programmed death 1/programmed death-ligand 1 (PD-1/PD-L1) targeting therapy is a key strategy in gastric cancer treatment,...
Discovery of the novel and potent histamine H1 receptor antagonists for treatment of allergic diseases
Discovery of the novel and potent histamine H1 receptor antagonists for treatment of allergic diseases
Allergic diseases are caused by the body's abnormal immune response to allergens, including acute and chronic urticaria, c...
Ferroptosis and cuproptposis in kidney Diseases: dysfunction of cell metabolism
Ferroptosis and cuproptposis in kidney Diseases: dysfunction of cell metabolism
Metal ions play an important role in living organisms and are involved in essential physiological activities. However, the...
Design, synthesis and biological evaluation of CDC20 inhibitors for treatment of triple-negative breast cancer
Design, synthesis and biological evaluation of CDC20 inhibitors for treatment of triple-negative breast cancer
Triple-negative breast cancer (TNBC) is highly prone to recurrence and metastasis, rendering it the most lethal subtype of...
Identification of novel benzoyl hydrazine derivatives as activators of neddylation pathway to inhibit the tumor progression in vitro
Identification of novel benzoyl hydrazine derivatives as activators of neddylation pathway to inhibit the tumor progression in vitro
Neddylation modification is frequently overexpressed in many types of human tumors. As a result, targeting neddylation pat...
Emerging synthetic strategies and pharmacological insights of 1,3,4-thiadiazole derivatives: a comprehensive review
Emerging synthetic strategies and pharmacological insights of 1,3,4-thiadiazole derivatives: a comprehensive review
This review meticulously examines the synthesis techniques for 1,3,4-thiadiazole derivatives, focusing on cyclization, con...