Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Gerardo M. Casañola-Martín"'
Autor:
Shan He, Karam Nader, Julen Segura Abarrategi, Harbil Bediaga, Deyani Nocedo-Mena, Estefania Ascencio, Gerardo M. Casanola-Martin, Idoia Castellanos-Rubio, Maite Insausti, Bakhtiyor Rasulev, Sonia Arrasate, Humberto González-Díaz
Publikováno v:
Journal of Nanobiotechnology, Vol 22, Iss 1, Pp 1-19 (2024)
Abstract Neurodegenerative diseases involve progressive neuronal death. Traditional treatments often struggle due to solubility, bioavailability, and crossing the Blood-Brain Barrier (BBB). Nanoparticles (NPs) in biomedical field are garnering growin
Externí odkaz:
https://doaj.org/article/1db442ccc26140babd862363af7d847c
Autor:
Phan Thi Diem-Tran, Tue-Tam Ho, Nguyen-Van Tuan, Le-Quang Bao, Ha Tran Phuong, Trinh Thi Giao Chau, Hoang Thi Binh Minh, Cong-Truong Nguyen, Zulayho Smanova, Gerardo M. Casanola-Martin, Bakhtiyor Rasulev, Hai Pham-The, Le Canh Viet Cuong
Publikováno v:
Toxics, Vol 11, Iss 7, p 595 (2023)
Industrial wastewater often consists of toxic chemicals and pollutants, which are extremely harmful to the environment. Heavy metals are toxic chemicals and considered one of the major hazards to the aquatic ecosystem. Analytical techniques, such as
Externí odkaz:
https://doaj.org/article/12d157eca1f641e4975876b9cfa2c444
Autor:
Le-Quang Bao, Daniel Baecker, Do Thi Mai Dung, Nguyen Phuong Nhung, Nguyen Thi Thuan, Phuong Linh Nguyen, Phan Thi Phuong Dung, Tran Thi Lan Huong, Bakhtiyor Rasulev, Gerardo M. Casanola-Martin, Nguyen-Hai Nam, Hai Pham-The
Publikováno v:
Molecules, Vol 28, Iss 8, p 3588 (2023)
Multi-target drug development has become an attractive strategy in the discovery of drugs to treat of Alzheimer’s disease (AzD). In this study, for the first time, a rule-based machine learning (ML) approach with classification trees (CT) was appli
Externí odkaz:
https://doaj.org/article/8cfc16ca2eb94431aa56e4e89c8c4ffd
Autor:
Amirreza Daghighi, Gerardo M. Casanola-Martin, Troy Timmerman, Dejan Milenković, Bono Lučić, Bakhtiyor Rasulev
Publikováno v:
Toxics, Vol 10, Iss 12, p 746 (2022)
In this work, a dataset of more than 200 nitroaromatic compounds is used to develop Quantitative Structure–Activity Relationship (QSAR) models for the estimation of in vivo toxicity based on 50% lethal dose to rats (LD50). An initial set of 4885 mo
Externí odkaz:
https://doaj.org/article/08086581e8324c68aa866b28d3c00260
Autor:
Michael González-Durruthy, Jose M. Monserrat, Bakhtiyor Rasulev, Gerardo M. Casañola-Martín, José María Barreiro Sorrivas, Sergio Paraíso-Medina, Víctor Maojo, Humberto González-Díaz, Alejandro Pazos, Cristian R. Munteanu
Publikováno v:
Nanomaterials, Vol 7, Iss 11, p 386 (2017)
This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) under three experimental conditions. New experimental results and a new methodology are reported for the first time and they are based on CNT Raman spect
Externí odkaz:
https://doaj.org/article/72e2e06cc1fb4a01a6de861cf42113ea
Autor:
Amaury Pérez Martínez, Oscar Miguel Rivera-Borroto, Gerardo M. Casañola-Martín, Karel Dieguez Santana
Publikováno v:
Proceedings of MOL2NET 2016, International Conference on Multidisciplinary Sciences, 2nd edition.
Autor:
Gerardo M. Casañola Martín, Yovani Marrero Ponce, Arjumand Ather, M. N. Sultankhodzhaev, Richard Rotondo, Mahmud Tareq Hassan Khan, Ysaias Alvarado, Francisco Torrens
Publikováno v:
QSAR & Combinatorial Science. 26:469-487
Herein we present results of QSAR studies of tyrosinase inhibitors employing one of the atom-based TOMOCOMD-CARDD (acronym of TOpological MOlecular COMputer Design-Computer Aided “Rational” Drug Design) descriptors, molecular quadratic indices, a
Autor:
M. N. Sultankhodzhaev, Arjumand Ather, Yovani Marrero-Ponce, Gerardo M. Casañola Martín, Mahmud Tareq Hassan Khan, Richard Rotondo, Francisco Torrens
Publikováno v:
ChemMedChem. 2(4)
A set of novel atom-based molecular fingerprints is proposed based on a bilinear map similar to that defined in linear algebra. These molecular descriptors (MDs) are proposed as a new means of molecular parametrization easily calculated from 2D molec
Autor:
Sedat Karabulut, Basel Mansour, Gerardo M. Casanola-Martin, Bakhtiyor Rasulev, James W. Gauld
Publikováno v:
Molecules, Vol 27, Iss 20, p 6780 (2022)
Human serum paraoxonase-1 (PON1) is an important hydrolase-type enzyme found in numerous tissues. Notably, it can exist in two isozyme-forms, Q and R, that exhibit different activities. This study presents an in silico (QSAR, Docking, MD and QM/MM) s
Externí odkaz:
https://doaj.org/article/3da09b39ba454a4187e6d1111fcd86ca