Designing, docking and molecular dynamics simulation studies of novel cloperastine analogues as anti-allergic agents: Homology modeling and active site prediction …

JR Daddam, B Sreenivasulu, K Peddanna… - RSC …, 2020 - pubs.rsc.org
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 …

Computational modeling of the Staphylococcal enterotoxins and their interaction with natural antitoxin compounds

M Kurjogi, P Satapute, S Jogaiah… - International journal of …, 2018 - mdpi.com
Staphylococcus aureus is an opportunistic bacterium that produces various types of toxins,
resulting in serious food poisoning. Staphylococcal enterotoxins (SEs) are heat-stable and …

Molecular dynamics and protein interaction studies of lipopeptide (Iturin A) on α-amylase of Spodoptera litura

PN Kumar, TH Swapna, MY Khan, JR Daddam… - Journal of theoretical …, 2017 - Elsevier
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 …

Effects of environmental heat load on endocannabinoid system components in adipose tissue of high yielding dairy cows

G Kra, JR Daddam, U Moallem, H Kamer, M Ahmad… - Animals, 2022 - mdpi.com
Simple Summary We hypothesized that environmental heat load (HL) may affect the
endocannabinoid system (ECS), a central regulator of metabolism and the stress response …

Antioxidant resveratrol increases lipolytic and reduces lipogenic gene expression under in vitro heat stress conditions in dedifferentiated adipocyte-derived progeny …

G Kra, JR Daddam, H Gabay, S Yosefi, M Zachut - Antioxidants, 2021 - mdpi.com
Heat stress (HS) induces oxidative stress by increasing reactive oxygen species (ROS), and
the polyphenol resveratrol (RSV) has been shown to have antioxidant properties by …

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 …

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 …

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 …

In silico Approaches of Azadirachta indica polypeptides exhibiting antimicrobial and anticancer potential

MA Saiqali, K Nakuluri, AV Reddy, SS Ghori… - 2024 - nopr.niscpr.res.in
Medicinal plants are a vital source of natural bioactive peptides with broad therapeutic and
pharmaceutical applications. These peptides are emerging as a viable alternative to …

[HTML][HTML] Identification of Protease Inhibition Mechanism by Iturin A against Agriculture Cutworm () by Homology Modeling and Molecular Dynamics

NK Papathoti, D Kiddeejing… - The Open …, 2020 - openbioinformaticsjournal.com
Objective: Spodoptera litura, otherwise known as cutworm, belongs to the Noctuidae tribe,
which is a severe scourge for numerous crop systems and is considered one of Asian …