[HTML][HTML] Pharmacoinformatics approaches to identify potential hits against tetraacyldisaccharide 4′-kinase (LpxK) of Pseudomonas aeruginosa

MG Damale, SK Pathan, RB Patil, JN Sangshetti - RSC advances, 2020 - pubs.rsc.org
Pseudomonas aeruginosa infection can cause pneumonia and urinary tract infection and
the management of Pseudomonas aeruginosa infection is critical in multidrug resistance …

Evaluation of immunomodulatory potential of medicinal plants—Present scenario

N Özenver, T Efferth - Evidence-based validation of herbal medicine, 2022 - Elsevier
Natural products are unique sources for drug discovery and exhibit diverse biological
activities. The immunomodulatory properties of natural agents have gained great interest …

Synthesis, cytotoxicity, apoptosis and molecular docking studies of novel phenylbutyrate derivatives as potential anticancer agents

A Mostoufi, R Baghgoli, M Fereidoonnezhad - Computational Biology and …, 2019 - Elsevier
Phenylbutyrate (PB), a small aromatic fatty acid, has been known as an interesting
compound with the ability of anti-proliferation and cell growth inhibition in cancer cells. In the …

Insilico structure based drug design approach to find potential hits in ventilator-associated pneumonia caused by Pseudomonas aeruginosa

MG Damale, R Patil, SA Ansari, HM Alkahtani… - Computers in Biology …, 2022 - Elsevier
Abstract Tetraacyldisaccharide 4′-kinase (LpxK) is the prime enzyme responsible for the
biosynthesis of lipid A. LpxK is a key antibacterial drug target, but it is less exploitation in …

Vortioxetine Derivatives with Amino Acid as Promoiety: Synthesis, Activity, Stability and Preliminary Pharmacokinetic Study

X Mo, Y Li, X Zhu, X Li, H Zhou, X Bi, J Li - Journal of Pharmaceutical …, 2021 - Elsevier
Vortioxetine (Vot) is an effective antidepressant with unique mechanisms exerting multi-
target effects. However, severe side-effects such as nausea and vomiting are commonly …

Vibrational spectra and molecular docking studies of bergapten isolated from Melicopedenhamii leaves as anti-breast cancer agents

BM Philip, JS John, V Shyni, TK Kuruvilla… - Journal of Molecular …, 2022 - Elsevier
This paper highlights the notable bioactivity and pharmaceutical significance of the natural
furocoumarin viz. Bergapten (BG), extracted from the medicinal plant Melicopedenhamii …

Molecular Docking Studies of Phyllanthus niruri Root Phytoconstituents for Antibreast Cancer Activity Using Multiple Proteins

PA Kusampudi, A Verma, P Mounika… - Worldwide Congress on …, 2022 - Springer
The systematic exploitation of the structural variety of natural products is made possible by
docking studies, which have been shown to be a crucial technique. The objective of the …

[HTML][HTML] Docking Based Identification of Bioactive Diosmin as Potential Multi-Targeted Anti SARS-Cov-2 Agent

D Panigrahi, B Kumar Behera… - Journal of the Mexican …, 2022 - scielo.org.mx
The pandemic COVID-19, caused by the organism severe acute respiratory syndrome
coronavirus-2 (SARS-CoV-2) belongs to the family Coronoviridae has become a serious …

Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast …

SZ Kovačević, MŽ Karadžić, DV Vukić, VR Vukić… - Journal of Molecular …, 2019 - Elsevier
The present study is aimed to analyze lipophilicity and ADMET profiles, and to develop field
based 3D-QSAR and ligand-based pharmacophore hypothesis for a series of 17α-picolyl …

Novel and Latest Computational and Development of Anticancer Cancer

K Patnala, M Fernandez, RR Malla - Onco Therapeutics, 2022 - dl.begellhouse.com
Colon cancer (CC) is one of the most recurrent malignancies. Several decades ago, CC had
a low incidence. Currently, it has become a predominant cancer and contributes in a large …