Vetinformatics from functional genomics to drug discovery: insights into decoding complex molecular mechanisms of livestock systems in veterinary science

RK Pathak, JM Kim - Frontiers in Veterinary Science, 2022 - frontiersin.org
Having played important roles in human growth and development, livestock animals are
regarded as integral parts of society. However, industrialization has depleted natural …

Investigating Multi-Target Antiviral Compounds by Screening of Phytochemicals From Neem (Azadirachta indica) Against PRRSV: A Vetinformatics Approach

RK Pathak, DY Kim, B Lim, JM Kim - Frontiers in Veterinary Science, 2022 - frontiersin.org
Porcine reproductive and respiratory syndrome virus (PRRSV) is a global health problem for
pigs. PRRSV is highly destructive and responsible for significant losses to the swine …

[HTML][HTML] Structural insight into the mechanisms and interacting features of endocrine disruptor Bisphenol A and its analogs with human estrogen-related receptor …

RK Pathak, JM Kim - Environmental Pollution, 2024 - Elsevier
Bisphenol A (BPA) is a very important chemical from the commercial perspective. Many
useful products are made from it, so its production is increasing day by day. It is widely …

In silico Approaches for Exploring the Pharmacological Activities of Benzimidazole Derivatives: A Comprehensive Review

M Srivastava, K Singh, S Kumar… - Mini Reviews in …, 2024 - ingentaconnect.com
Background: This article reviews computational research on benzimidazole derivatives.
Cytotoxicity for all compounds against cancer cell lines was measured and the results …

Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy …

RK Pathak, WI Kim, JM Kim - Journal of Biological Engineering, 2023 - Springer
Background The porcine epidemic diarrhea virus (PEDV) represents a major health issue for
piglets worldwide and does significant damage to the pork industry. Thus, new therapeutic …

Identification of histidine kinase inhibitors through screening of natural compounds to combat mastitis caused by Streptococcus agalactiae in dairy cattle

RK Pathak, JM Kim - Journal of Biological Engineering, 2023 - Springer
Background Mastitis poses a major threat to dairy farms globally; it results in reduced milk
production, increased treatment costs, untimely compromised genetic potential, animal …

A computational assay for identifying millet-derived compounds that antagonize the interaction between bisphenols and estrogen-related receptor gamma

RK Pathak, JM Kim - Frontiers in Pharmacology, 2024 - frontiersin.org
The use of Bisphenol A (BPA) and its analogs in industries, as well as the products made
from them, is becoming a significant concern for human health. Scientific studies have …

Identification of core therapeutic targets for Monkeypox virus and repurposing potential of drugs: A WEB prediction approach

H Duan, Q Shi, X Yue, Z Zhang, L Liu, Y Wang, Y Cao… - PloS one, 2024 - journals.plos.org
A new round of monkeypox virus has emerged in the United Kingdom since July 2022 and
rapidly swept the world. Currently, despite numerous research groups are studying this virus …

[HTML][HTML] In Vitro and In Silico Studies of the Antimicrobial Activity of Prenylated Phenylpropanoids of Green Propolis and Their Derivatives against Oral Bacteria

TM Vieira, JG Barco, SL de Souza, ALO Santos… - Antibiotics, 2024 - mdpi.com
Artepillin C, drupanin, and plicatin B are prenylated phenylpropanoids that naturally occur in
Brazilian green propolis. In this study, these compounds and eleven of their derivatives were …

[HTML][HTML] In-silico exploration and structure-based design of Praziquantel derivatives as potential inhibitors of schistosoma mansoni Glutathione S-transferase (SmGST)

SC Jáafaru, A Uzairu, MS Sallau, GI Ndukwe… - Scientific African, 2024 - Elsevier
Schistosomiasis is a chronic parasitic disease with significant public health challenges due
to the limited number of treatment options and increasing levels of drug resistance against …