Inhibitors of the Plasmodium falciparum Hsp90 towards Selective Antimalarial Drug Design: The Past, Present and Future
Malaria is still one of the major killer parasitic diseases in tropical settings, posing a public
health threat. The development of antimalarial drug resistance is reversing the gains made …
health threat. The development of antimalarial drug resistance is reversing the gains made …
The role of PP5 and PP2C in cardiac health and disease
J Neumann, P Boknik, U Kirchhefer, U Gergs - Cellular signalling, 2021 - Elsevier
Protein phosphatases are important, for example, as functional antagonists of β-adrenergic
stimulation of the mammalian heart. While β-adrenergic stimulations increase the …
stimulation of the mammalian heart. While β-adrenergic stimulations increase the …
Secondary metabolites from spice and herbs as potential multitarget inhibitors of SARS-CoV-2 proteins
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been responsible for
the current global pandemic that has caused a death toll of> 1.12 million worldwide and …
the current global pandemic that has caused a death toll of> 1.12 million worldwide and …
Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β
A Kumar, G Srivastava, AS Negi… - Journal of Biomolecular …, 2019 - Taylor & Francis
BACE-1 and GSK-3β both are potential therapeutic drug targets for Alzheimer's disease.
Recently, both these targets received attention for designing dual inhibitors. Till now only …
Recently, both these targets received attention for designing dual inhibitors. Till now only …
FingerDTA: a fingerprint-embedding framework for drug-target binding affinity prediction
Many efforts have been exerted toward screening potential drugs for targets, and conducting
wet experiments remains a laborious and time-consuming approach. Artificial intelligence …
wet experiments remains a laborious and time-consuming approach. Artificial intelligence …
Phytochemical mediated modulation of COX-3 and NFκB for the management and treatment of arthritis
In this study, we investigated whether zerumbone (ZBN), ellagic acid (ELA) and quercetin
(QCT), the plant-derived components, can modulate the role of COX-3 or cytokines liable in …
(QCT), the plant-derived components, can modulate the role of COX-3 or cytokines liable in …
Deciphering genome-wide WRKY gene family of Triticum aestivum L. and their functional role in response to Abiotic stress
WRKY transcription factors (TFs) act in regulating plant growth and development as well as
in response to different stress. Some earlier studies done by individual researchers reported …
in response to different stress. Some earlier studies done by individual researchers reported …
FragDPI: a novel drug-protein interaction prediction model based on fragment understanding and unified coding
Prediction of drug-protein binding is critical for virtual drug screening. Many deep learning
methods have been proposed to predict the drug-protein binding based on protein …
methods have been proposed to predict the drug-protein binding based on protein …
Molecular-docking study of malaria drug target enzyme transketolase in Plasmodium falciparum 3D7 portends the novel approach to its treatment
Background Malaria has been a major life threatening mosquito borne disease from long
since. Unavailability of any effective vaccine and recent emergence of multi drug resistant …
since. Unavailability of any effective vaccine and recent emergence of multi drug resistant …
Multiple machine learning, molecular docking, and ADMET screening approach for identification of selective inhibitors of CYP1B1
Cytochrome P4501B1 is a ubiquitous family protein that is majorly overexpressed in tumors
and is responsible for biotransformation-based inactivation of anti-cancer drugs. This …
and is responsible for biotransformation-based inactivation of anti-cancer drugs. This …