An updated review on developing small molecule kinase inhibitors using computer-aided drug design approaches
L Li, S Liu, B Wang, F Liu, S Xu, P Li… - International Journal of …, 2023 - mdpi.com
Small molecule kinase inhibitors (SMKIs) are of heightened interest in the field of drug
research and development. There are 79 (as of July 2023) small molecule kinase inhibitors …
research and development. There are 79 (as of July 2023) small molecule kinase inhibitors …
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against …
The recent pandemic caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
Endothelin-receptor antagonists beyond pulmonary arterial hypertension: cancer and fibrosis
JD Aubert, L Juillerat-Jeanneret - Journal of medicinal chemistry, 2016 - ACS Publications
The endothelin axis and in particular the two endothelin receptors, ETA and ETB, are targets
for therapeutic intervention in human diseases. Endothelin-receptor antagonists are in …
for therapeutic intervention in human diseases. Endothelin-receptor antagonists are in …
Designing, docking and molecular dynamics simulation studies of novel cloperastine analogues as anti-allergic agents: Homology modeling and active site prediction …
The present study predicts a three-dimensional model for the histamine H1 receptor and the
design of antihistamine inhibitors using cloperastine as the core molecule by docking …
design of antihistamine inhibitors using cloperastine as the core molecule by docking …
Advantages of structure-based drug design approaches in neurological disorders
Objective: The purpose of the review is to portray the theoretical concept on neurological
disorders from research data. Background: The freak changes in chemical response of …
disorders from research data. Background: The freak changes in chemical response of …
Molecular dynamics and protein interaction studies of lipopeptide (Iturin A) on α-amylase of Spodoptera litura
The small mottled willow moth (Spodoptera litura) is one of the best-known agricultural pest
insects. To understand the insecticidal activity, we have selected iturin A compound …
insects. To understand the insecticidal activity, we have selected iturin A compound …
Effects of environmental heat load on endocannabinoid system components in adipose tissue of high yielding dairy cows
Simple Summary We hypothesized that environmental heat load (HL) may affect the
endocannabinoid system (ECS), a central regulator of metabolism and the stress response …
endocannabinoid system (ECS), a central regulator of metabolism and the stress response …
In Silico studies on anti-stress compounds of ethanolic root extract of Hemidesmus indicus L.
JR Daddam, B Sreenivasulu… - Current …, 2020 - ingentaconnect.com
Background: Alternative medicine is available for those diseases which cannot be treated by
conventional medicine. Ayurveda and herbal medicines are important alternative methods in …
conventional medicine. Ayurveda and herbal medicines are important alternative methods in …
Structure prediction, molecular simulations of RmlD from Mycobacterium tuberculosis, and interaction studies of Rhodanine derivatives for anti-tuberculosis activity
M Sura, JR Daddam - Journal of molecular modeling, 2021 - Springer
Tuberculosis is the most dangerous disease causing maximum deaths than any other,
caused by single infectious agent. Due to multidrug resistant of Mycobacterium tuberculosis …
caused by single infectious agent. Due to multidrug resistant of Mycobacterium tuberculosis …
Plant systemic acquired resistance compound salicylic acid as a potent inhibitor against SCF (SKP1-CUL1-F-box protein) mediated complex in Fusarium oxysporum …
NK Papathoti, C Saengchan, JR Daddam… - Journal of …, 2022 - Taylor & Francis
Fusarium oxysporum causes significant economic losses in many crop plants by causing
root rot, necrosis, and wilting symptoms. Homology and molecular dynamics studies are …
root rot, necrosis, and wilting symptoms. Homology and molecular dynamics studies are …