Mathematical and computational techniques for drug discovery: promises and developments

K Balasubramanian - Current Topics in Medicinal Chemistry, 2018 - ingentaconnect.com
We review various mathematical and computational techniques for drug discovery
exemplifying some recent works pertinent to group theory of nested structures of relevance …

[HTML][HTML] Rhodanine scaffold: A review of antidiabetic potential and structure–activity relationships (SAR)

AKD bin Ahmad Kamar, LJ Yin, CT Liang… - Medicine in Drug …, 2022 - Elsevier
Diabetes is a chronic medical condition due to the lack of insulin or ineffective use of insulin.
In recent years, diabetes has become one of the rapidly growing chronic diseases, and it …

Phase transfer catalysts shift the pathway to transmetalation in biphasic Suzuki-Miyaura cross-couplings

Y Shi, JS Derasp, T Maschmeyer, JE Hein - Nature Communications, 2024 - nature.com
Abstract The Suzuki-Miyaura coupling is a widely used CC bond forming reaction.
Numerous mechanistic studies have enabled the use of low catalyst loadings and broad …

Thiazolidone derivatives as inhibitors of chikungunya virus

SS Jadav, BN Sinha, R Hilgenfeld, B Pastorino… - European Journal of …, 2015 - Elsevier
A series of arylalkylidene derivatives of 1, 3-thiazolidin-4-one (1–20) were synthesized and
tested for their antiviral activity against chikungunya virus (LR2006_OPY1) in Vero cell …

Synthesis and biological evaluation of nitrated 7-, 8-, 9-, and 10-hydroxyindenoisoquinolines as potential dual topoisomerase I (Top1)–tyrosyl-DNA …

TX Nguyen, M Abdelmalak, C Marchand… - Journal of medicinal …, 2015 - ACS Publications
The structure–activity relationships and hit-to-lead optimization of dual Top1–TDP1
inhibitors in the indenoisoquinoline drug class were investigated. A series of nitrated 7-, 8-, 9 …

Design and synthesis of poly (ADP-ribose) polymerase inhibitors: impact of adenosine pocket-binding motif appendage to the 3-oxo-2, 3-dihydrobenzofuran-7 …

UK Velagapudi, MF Langelier… - Journal of medicinal …, 2019 - ACS Publications
Poly (adenosine 5′-diphosphate-ribose) polymerase (PARP) inhibitors are a class of
anticancer drugs that block the catalytic activity of PARP proteins. Optimization of our lead …

A review on HCV inhibitors: Significance of non-structural polyproteins

NM Ganta, G Gedda, B Rathnakar… - European journal of …, 2019 - Elsevier
Hepatitis C virus (HCV) mortality and morbidity is a world health misery with an approximate
130–150 million chronically HCV tainted and suffering individuals and it initiate critical liver …

Recent advancements in NS5B inhibitors (2011-2021): Structural insights, SAR studies and clinical status

A Kumar, RK Narang, R Bhatia - Journal of Molecular Structure, 2023 - Elsevier
About 130–150 million people worldwide are chronically infected with the hepatitis C virus
(HCV), and this infection can lead to serious liver problems such as cirrhosis, hepatocellular …

The importance of rhodanine scaffold in medicinal chemistry: A comprehensive overview

A Mermer - Mini Reviews in Medicinal Chemistry, 2021 - ingentaconnect.com
After the clinical use of epalrestat that contains a rhodanine ring, in type II diabetes mellitus
and diabetic complications, rhodanin-based compounds have become an important class of …

In silico target fishing and pharmacological profiling for the isoquinoline alkaloids of Macleaya cordata (Bo Luo Hui)

Q Lei, H Liu, Y Peng, P Xiao - Chinese Medicine, 2015 - Springer
Background Some isoquinoline alkaloids from Macleaya cordata (Willd). R. Br.(Bo Luo Hui)
exhibited antibacterial, antiparasitic, antitumor, and analgesic effects. The targets of these …