Polypharmacology: The science of multi-targeting molecules
Polypharmacology is a concept where a molecule can interact with two or more targets
simultaneously. It offers many advantages as compared to the conventional single-targeting …
simultaneously. It offers many advantages as compared to the conventional single-targeting …
An up-to-date overview of computational polypharmacology in modern drug discovery
Introduction In recent years, computational polypharmacology has gained significant
attention to study the promiscuous nature of drugs. Despite tremendous challenges …
attention to study the promiscuous nature of drugs. Despite tremendous challenges …
Discovery of Novel Pyrrolo[2,3-d]pyrimidine-based Derivatives as Potent JAK/HDAC Dual Inhibitors for the Treatment of Refractory Solid Tumors
X Liang, S Tang, X Liu, Y Liu, Q Xu… - Journal of medicinal …, 2021 - ACS Publications
It remains a big challenge to develop HDAC inhibitors effective for solid tumors. Previous
studies have suggested that the feedback activation of JAK-STAT3 pathway represents a …
studies have suggested that the feedback activation of JAK-STAT3 pathway represents a …
Multi-target natural products as alternatives against oxidative stress in Chronic Obstructive Pulmonary Disease (COPD)
PB Gonçalves, NC Romeiro - European journal of medicinal chemistry, 2019 - Elsevier
Abstract Chronic Obstructive Pulmonary Disease (COPD) is a major global health problem.
Among other conditions, it has been associated with chronic airway and lung parenchyma …
Among other conditions, it has been associated with chronic airway and lung parenchyma …
Exploiting polypharmacology for improving therapeutic outcome of kinase inhibitors (KIs): An update of recent medicinal chemistry efforts
X Ma, X Lv, J Zhang - European Journal of Medicinal Chemistry, 2018 - Elsevier
Polypharmacology has been increasingly advocated for the therapeutic intervention in
complex pathological conditions, exemplified by cancer. Although kinase inhibitors (KIs) …
complex pathological conditions, exemplified by cancer. Although kinase inhibitors (KIs) …
Continuous evaluation of ligand protein predictions: a weekly community challenge for drug docking
Docking calculations can accelerate drug discovery by predicting the bound poses of
ligands for a targeted protein. However, it is not clear which docking methods work best …
ligands for a targeted protein. However, it is not clear which docking methods work best …
Discovery of novel pyrazolopyrimidine derivatives as potent mTOR/HDAC bi-functional inhibitors via pharmacophore-merging strategy
M Zhang, W Wei, C Peng, X Ma, X He, H Zhang… - Bioorganic & Medicinal …, 2021 - Elsevier
The mTOR and HDAC dual suppression is meaningful for counteracting drug resistance
resulted from kinase mutation and bypass mechanisms. Herein, we communicate our recent …
resulted from kinase mutation and bypass mechanisms. Herein, we communicate our recent …
Cell surface transporters and novel drug developments
N Carmichael, PJR Day - Frontiers in pharmacology, 2022 - frontiersin.org
Despite the numerous scientific and technological advances made within the last decade
the attrition rates for new drug discovery remain as high as 95% for anticancer drugs. Recent …
the attrition rates for new drug discovery remain as high as 95% for anticancer drugs. Recent …
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 …
Rational application of drug promiscuity in medicinal chemistry
Y Mei, B Yang - Future medicinal chemistry, 2018 - Taylor & Francis
'Drug promiscuity'refers to a drug that can act on multiple molecular targets, exhibiting
similar or different pharmacological effects. Drugs may interact with unwanted targets …
similar or different pharmacological effects. Drugs may interact with unwanted targets …