QSAR-based virtual screening: advances and applications in drug discovery
Virtual screening (VS) has emerged in drug discovery as a powerful computational
approach to screen large libraries of small molecules for new hits with desired properties …
approach to screen large libraries of small molecules for new hits with desired properties …
Chalcone derivatives: promising starting points for drug design
Medicinal chemists continue to be fascinated by chalcone derivatives because of their
simple chemistry, ease of hydrogen atom manipulation, straightforward synthesis, and a …
simple chemistry, ease of hydrogen atom manipulation, straightforward synthesis, and a …
Anticancer activity of natural and synthetic chalcones
T Constantinescu, CN Lungu - International journal of molecular sciences, 2021 - mdpi.com
Cancer is a condition caused by many mechanisms (genetic, immune, oxidation, and
inflammatory). Anticancer therapy aims to destroy or stop the growth of cancer cells …
inflammatory). Anticancer therapy aims to destroy or stop the growth of cancer cells …
Recent advances of imidazole-containing derivatives as anti-tubercular agents
YL Fan, XH **, ZP Huang, HF Yu, ZG Zeng… - European journal of …, 2018 - Elsevier
Tuberculosis still remains one of the most common, communicable, and leading deadliest
diseases known to mankind throughout the world. Drug-resistance in Mycobacterium …
diseases known to mankind throughout the world. Drug-resistance in Mycobacterium …
Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products
Natural products are continually explored in the development of new bioactive compounds
with industrial applications, attracting the attention of scientific research efforts due to their …
with industrial applications, attracting the attention of scientific research efforts due to their …
Synthesis and Pharmacological Activities of Chalcone and Its Derivatives Bearing N-Heterocyclic Scaffolds: A Review
K Mezgebe, Y Melaku, E Mulugeta - ACS omega, 2023 - ACS Publications
The incorporation of heterocyclic moieties into the standard chemical structure with a
biologically active scaffold has become of crucial practice for the construction of …
biologically active scaffold has become of crucial practice for the construction of …
Indole-chalcone linked 1, 2, 3-triazole hybrids: Facile synthesis, antimicrobial evaluation and docking studies as potential antimicrobial agents
The design and synthesis of a new series of indole-chalcone linked 1, 2, 3-triazole hybrids
via Cu (Ι)-catalyzed azide-alkyne cycloaddition is reported. All the compounds (2, 4a–4e and …
via Cu (Ι)-catalyzed azide-alkyne cycloaddition is reported. All the compounds (2, 4a–4e and …
Batched bayesian optimization for drug design in noisy environments
The early stages of the drug design process involve identifying compounds with suitable
bioactivities via noisy assays. As databases of possible drugs are often very large, assays …
bioactivities via noisy assays. As databases of possible drugs are often very large, assays …
1, 2, 3-Triazole-Chalcone hybrids: Synthesis, in vitro cytotoxic activity and mechanistic investigation of apoptosis induction in multiple myeloma RPMI-8226
Abstract A new series of 1, 2, 3-triazole-chalcone hybrids has been synthesized and
screened in vitro against a panel of 60 human cancer cell lines according to NCI (USA) …
screened in vitro against a panel of 60 human cancer cell lines according to NCI (USA) …
Recent developments in biological aspects of chalcones: the odyssey continues
Introduction: Chalcones are attractive to synthetic chemists because they are easy to
prepare, have a large number of replaceable hydrogens, thereby having significant …
prepare, have a large number of replaceable hydrogens, thereby having significant …