Structure-and ligand-based drug design methods for the modeling of antimalarial agents: a review of updates from 2012 onwards

VK Vyas, S Bhati, S Patel, M Ghate - Journal of Biomolecular …, 2022 - Taylor & Francis
Malaria still persists as one of the deadliest infectious disease having a huge morbidity and
mortality affecting the higher population of the world. Structure and ligand-based drug …

α- and β-Santalols Delay Aging in Caenorhabditis elegans via Preventing Oxidative Stress and Protein Aggregation

A Mohankumar, D Kalaiselvi, G Thiruppathi… - ACS …, 2020 - ACS Publications
α-and β-Santalol (santalol isomers) are the most abundant sesquiterpenoids found in
sandalwood, contributing to its pleasant fragrance and wide-spectrum bioactivity. This study …

Enterococcus faecalis thrives in dual-species biofilm models under iron-rich conditions

DK Govindarajan, Y Meghanathan… - Archives of …, 2022 - Springer
Escherichia coli (E. coli) and Enterococcus faecalis (E. faecalis) are pathogenic strains that
often coexist in intestinal flora of humans and are prone to cause biofilm-associated …

In Silico Studies of Four Compounds of Cecropia obtusifolia against Malaria Parasite

CA Lobato-Tapia, Y Moreno-Hernández… - Molecules, 2023 - mdpi.com
Malaria is a disease that affects many people in the world. In Mexico, malaria remains an
active disease in certain regions, particularly in the states of Chiapas and Chihuahua. While …

New insights into structural, electronic, reactivity, spectroscopic and pharmacological properties of Bergenin: Experimental, DFT calculations, MD and docking …

RA Costa, JN da Silva, VG Oliveira, LM Anselmo… - Journal of Molecular …, 2021 - Elsevier
Bergenin is a polyphenol found in many medicinal plants that presents numerous activities,
such as antiulcer, anti-inflammatory, antifungal, anticancer, antimicrobial, antidiabetic …

Search for RNA aptamers against non-structural protein of SARS-CoV-2: Design using molecular dynamics approach

R Kothandan, P Uthayasooriyan… - Beni-Suef University …, 2021 - Springer
Background Recent outbreak of deadly Severe Acute Respiratory Syndrome Coronavirus-2
(SARS-CoV-2) urges the scientist to identify the potential vaccine or drug to control the …

Concatenation of molecular docking and dynamics simulation of human papillomavirus type 16 E7 oncoprotein targeted ligands: In quest of cervical cancer's treatment

A Hidayatullah, WE Putra, S Sustiprijatno… - Anais da Academia …, 2023 - SciELO Brasil
The Human papillomaviruses type 16 E7 oncoprotein is a 98-amino-acid, 11-kilodalton
acidic oncoprotein with three conserved portions. Due to its interaction with the pRb-E2F …

[PDF][PDF] Novel Antimalarial Drug Screening Based on Methyl Eugenol, Cinnamaldehyde, and Thiosemicarbazone with Cysteine Protease Inhibition: In Silico Molecular …

L Arianie, FE Hermanto, ED Iftitah… - Journal of Pure & …, 2022 - researchgate.net
Plasmodium falciparum malaria contributes to significant global diseases. Computer-aided
drug design, screening, and discovery were used to analyze a novel series of Methyl …

Structure-based virtual screening and molecular dynamics simulation to identify potential SARS-CoV-2 spike receptor inhibitors from natural compound database

A Sarkar, D Sen, A Sharma, RK Muttineni… - Pharmaceutical …, 2021 - Springer
The outbreak of respiratory disease, COVID-19 caused by SARS-CoV-2 has now been
spread globally and the number of new infections is rising every moment. There are no …

Inhibiting the activity of malarial drug target Plasmepsin V by quinolines in aqueous medium

AK Prajapati, A Bhattacharya, S Choudhary - Journal of Molecular Liquids, 2024 - Elsevier
Plasmodium falciparum plasmepsin V (PfPlmV) is an aspartic protease present in the
malarial parasite and has emerged as potent anti-malarial target. In this work, we have …