[HTML][HTML] Network pharmacology and molecular docking technology for exploring the effect and mechanism of Radix Bupleuri and Radix Paeoniae Alba herb-pair on …

L Huang, Q Yu, H Peng, Z Zhen - Medicine, 2023 - journals.lww.com
Abstract The Radix Bupleuri and Radix Paeoniae Alba herb-pair (RRH) are the most classic
compatible drug pair for the treatment of hepatitis. However, the underlying mechanism …

[HTML][HTML] Synthesis, crystal structure investigation, and theoretical approaches to discover potential 6-bromo-3-cyanocoumarin as a potent inhibitor MetAP (methionine …

Y El Bakri, M Kurbanova, A Ahsin, S Karthikeyan… - Chemical Physics …, 2024 - Elsevier
It has been ascertained that trifluoroacetic acid accelerates the Knoevenagel condensation
reaction of 5-bromosalicylaldehyde and ethyl ester of cyanoacetic acid. As a result, the 6 …

[HTML][HTML] Structure-based drug design for protein arginine deiminase Type IV (PAD4) receptor: Chemoinformatics approach

CBR Santos, JN Cruz, LB Federico, SN Mali… - Chemical Physics …, 2024 - Elsevier
Rheumatoid Arthritis (RA) is the second most common type of arthritis with symptoms first
appearing in patients between 40 and 60 years of age. The number of older persons is …

Human Toxicity of Nano‐and Microplastics

AA Cruz Salas, MV Perez, ALT Bobadilla… - Toxic Effects of Micro …, 2024 - Wiley Online Library
The toxicity of microplastics to human beings has raised global concern because of the
ubiquity of these emergent pollutants in the environment and their entrance into trophic …

[HTML][HTML] Trifluoromethyl quinoline derivative targets inhibiting HDAC1 for promoting the acetylation of histone in cervical cancer cells

T Zhang, C Zhou, M Lv, J Yu, S Cheng, X Cui… - European Journal of …, 2024 - Elsevier
Cervical cancer is the leading cause of death among gynecological malignant tumors,
especially due to the poor prognosis of patients with advanced tumors due to recurrence …

Identification of a novel drug molecule for neurodegenerative disease from marine algae through in-silico analysis

AK Dhanabalan, P Kumar, S Vasudevan… - Journal of …, 2024 - Taylor & Francis
Cognitive functions are lost due to the rapid hydrolysis of acetylcholine including
Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE). Marine algae-derived …

Essential Oil of Ocimum basilicum against Aedes aegypti and Culex quinquefasciatus: Larvicidal Activity of a Nanoemulsion and In Silico Study

ELV de Sousa dos Santos, JN Cruz, GV da Costa… - Separations, 2024 - mdpi.com
Diseases transmitted by vectors such as Aedes aegypti and Culex quinquefasciatus
(Diptera: Culicidae) have been responsible for endemics and epidemics in several …

Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors

LHD de Oliveira, JN Cruz, CBR Dos Santos… - Molecular Diversity, 2023 - Springer
The dopamine transporter (DAT), responsible for the regulation of dopaminergic
neurotransmission, is implicated in the etiology of several neuropsychiatric disorders which …

Green synthesized AgNPs of the Anchusa arvensis aqueous extract resulting in impressive protein kinase, antioxidant, antibacterial, and antifungal activities

M Mohany, J Ali, A Wahab, F Fozia… - … für Naturforschung C, 2024 - degruyter.com
This study focused on analyzing the pharmacological activities of AgNPs synthesized from
an aqueous plant extract of Anchusa arvensis. The effectiveness of AgNPs was evaluated …

Sinefungin analogs targeting VP39 methyltransferase as potential anti-monkeypox therapeutics: a multi-step computational approach

AS Abouzied, B Huwaimel, S Alqarni, KM Younes… - Molecular Diversity, 2024 - Springer
The increasing spread of the Monkeypox virus (MPXV) presents a significant public health
challenge, emphasising the urgent requirement for effective treatments. Our study focuses …