Computational approaches in preclinical studies on drug discovery and development

F Wu, Y Zhou, L Li, X Shen, G Chen, X Wang… - Frontiers in …, 2020 - frontiersin.org
Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of
drug development in the costly late stage, it has been widely recognized that drug ADMET …

A review on development of bio-active thiosemicarbazide derivatives: Recent advances

PT Acharya, ZA Bhavsar, DJ Jethava, DB Patel… - Journal of Molecular …, 2021 - Elsevier
There has been substantial attention in the expansion of new thiosemicarbazide derivatives
with diverse biological activities in recent years. Therefore, many scientists have prepared …

Curcumin-Incorporated Biomaterials: In silico and in vitro evaluation of biological potentials

NA Torbat, I Akbarzadeh, N Rezaei… - Coordination Chemistry …, 2023 - Elsevier
Curcumin (diferuloylmethane) is the main constituent extracted from turmeric. This
polyphenol is a non-toxic, potent compound with anticancer, anti-inflammatory, antibacterial …

Recent developments in the synthesis of hybrid antimalarial drug discovery

BP Raiguru, J Panda, S Mohapatra, S Nayak - Bioorganic Chemistry, 2023 - Elsevier
In this 21 st century, Malaria remains a global burden and causes massive economic trouble
to disease-endemic nations. The control and eradication of malaria is a major challenge that …

Friedlӓnder's synthesis of quinolines as a pivotal step in the development of bioactive heterocyclic derivatives in the current era of medicinal chemistry

S Rajendran, K Sivalingam… - Chemical Biology & …, 2022 - Wiley Online Library
In the current scenario of medicinal chemistry, quinoline plays a pivotal role in the design of
new heterocyclic compounds with several pharmacological properties, so the search for new …

Medicinal chemistry updates on quinoline-and endoperoxide-based hybrids with potent antimalarial activity

A Uddin, M Chawla, I Irfan, S Mahajan… - RSC Medicinal …, 2021 - pubs.rsc.org
The resistance of conventional antimalarial drugs against the malarial parasite continues to
pose a challenge to control the disease. The indiscriminate exploitation of the available …

QSAR studies, molecular docking, molecular dynamics, synthesis, and biological evaluation of novel quinolinone-based thiosemicarbazones against Mycobacterium …

J Valencia, V Rubio, G Puerto, L Vasquez, A Bernal… - Antibiotics, 2022 - mdpi.com
In this study, a series of novel quinolinone-based thiosemicarbazones were designed in
silico and their activities tested in vitro against Mycobacterium tuberculosis (M. tuberculosis) …

Recent contributions of quinolines to antimalarial and anticancer drug discovery research

T Van de Walle, L Cools, S Mangelinckx… - European Journal of …, 2021 - Elsevier
Quinoline, a privileged scaffold in medicinal chemistry, has always been associated with a
multitude of biological activities. Especially in antimalarial and anticancer research …

Recent developments of quinoline derivatives and their potential biological activities

M Dib, H Ouchetto, K Ouchetto, A Hafid… - Current Organic …, 2021 - ingentaconnect.com
Heterocyclic compounds containing the quinoline ring play a significant role in organic
synthesis and therapeutic chemistry. Polyfunctionalized quinolines have attracted the …

Engineered N-doped graphene quantum dots/CoFe 2 O 4 spherical composites as a robust and retrievable catalyst: fabrication, characterization, and catalytic …

P Babaei, J Safaei-Ghomi - RSC advances, 2021 - pubs.rsc.org
Nitrogen-doped graphene quantum dots (N-GQDs), which are less than 10 nm in size, are
an interesting member of the nanocarbon materials family. N-GQDs nanostructures have …