[HTML][HTML] Enhancing autophagy in Alzheimer's disease through drug repositioning
Alzheimer's disease (AD) is one of the biggest human health threats due to increases in
aging of the global population. Unfortunately, drugs for treating AD have been largely …
aging of the global population. Unfortunately, drugs for treating AD have been largely …
Flavonoids as efficient scaffolds: Recent trends for malaria, leishmaniasis, Chagas disease, and dengue
PK Boniface, EI Ferreira - Phytotherapy Research, 2019 - Wiley Online Library
Endemic in 149 tropical and subtropical countries, neglected tropical diseases (NTDs) affect
more than 1 billion people annually with over 500,000 deaths. Among the NTDs, some of the …
more than 1 billion people annually with over 500,000 deaths. Among the NTDs, some of the …
[HTML][HTML] Unveiling the functional epitopes of cobra venom cytotoxin by immunoinformatics and epitope-omic analyses
Approximate 70% of cobra venom is composed of cytotoxin (CTX), which is responsible for
the dermonecrotic symptoms of cobra envenomation. However, CTX is generally low in …
the dermonecrotic symptoms of cobra envenomation. However, CTX is generally low in …
In silico target prediction for small molecules
R Byrne, G Schneider - Systems Chemical Biology: Methods and …, 2019 - Springer
Drugs modulate disease states through their actions on targets in the body. Determining
these targets aids the focused development of new treatments, and helps to better …
these targets aids the focused development of new treatments, and helps to better …
Multi-target-directed-ligands acting as enzyme inhibitors and receptor ligands
DA Rodríguez-Soacha, M Scheiner… - European Journal of …, 2019 - Elsevier
In this review, we present the latest advances in the field of multi-target-directed ligand
(MTDL) design for the treatment of various complex pathologies of multifactorial origin. In …
(MTDL) design for the treatment of various complex pathologies of multifactorial origin. In …
In silico tools to study molecular targets of neglected diseases: inhibition of TcSir2rp3, an epigenetic enzyme of Trypanosoma cruzi
E López-López, C Barrientos-Salcedo… - Advances in protein …, 2020 - Elsevier
There is a growing interest to study and address neglected tropical diseases (NTD). To this
end, in silico methods can serve as the bridge that connects academy and industry …
end, in silico methods can serve as the bridge that connects academy and industry …
Optimizing in silico drug discovery: simulation of connected differential expression signatures and applications to benchmarking
C Gonzalez Gomez, M Rosa-Calatrava… - Briefings in …, 2024 - academic.oup.com
Background We present a novel simulation method for generating connected differential
expression signatures. Traditional methods have struggled with the lack of reliable …
expression signatures. Traditional methods have struggled with the lack of reliable …
[HTML][HTML] Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones
RD Clark, DN Morris, G Chinigo, MS Lawless… - Journal of Computer …, 2020 - Springer
There is a pressing need to improve the efficiency of drug development, and nowhere is that
need more clear than in the case of neglected diseases like malaria. The peculiarities of …
need more clear than in the case of neglected diseases like malaria. The peculiarities of …
Docking, Scoring, and Virtual Screening in Drug Discovery
Since its introduction about four decades ago, docking and scoring are now the very heart of
structure‐based drug design. The past 10–20 years have seen a plethora of docking and …
structure‐based drug design. The past 10–20 years have seen a plethora of docking and …