Pharmacology & Toxicology
Listando 17 trabajos del autor/autora 38
Lista de trabajos en el área Pharmacology & Toxicology
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Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo
Yuan, Shuofeng; Chan, Jasper Fuk-Woo; den-Haan, Helena; Chik, Kenn Ka-Heng; Zhang, Anna Jinxia; Chan, Chris Chung-Sing; Poon, Vincent Kwok-Man; Yip, Cyril Chik-Yan; Mak, Winger Wing-Nga; Zhu, Zheng; Zou, ZiJiao; Tee, Kah-Meng; Cai, Jian-Piao; Chan, Kwok-Hu
ANTIVIRAL RESEARCH
0166-3542 (2017)
DOI /
10.1016/j.antiviral.2017.07.007
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13
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1
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Article
Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors
Perez-Sanchez, Horacio; den Haan, Helena; Perez-Garrido, Alfonso; Pena-Garcia, Jorge; Chakraborty, Sandipan; Orhan, Ilkay Erdogan; Deniz, Fatma Sezer Senol; Manuel Villalgordo, Jose
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2021)
DOI /
10.1021/acs.jcim.0c00463
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23
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Current Status of Carbohydrates Information in the Protein Data Bank
de Meirelles, Joao L.; Nepomuceno, Felipe C.; Pena-Garcia, Jorge; Schmidt, Ricardo Rodriguez; Perez-Sanchez, Horacio; Verli, Hugo
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2020)
DOI /
10.1021/acs.jcim.9b00874
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5
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Size and Flexibility Define the Inhibition of the H3N2 Influenza Endonuclease Enzyme by Calix[n]arenes
Tauran, Yannick; Ceron-Carrasco, Jose Pedro; Rhimi, Moez; Perret, Florent; Kim, Beomjoon; Collard, Dominique; Coleman, Anthony W.; Perez-Sanchez, Horacio
ANTIBIOTICS-BASEL
2079-6382 (2019)
DOI /
10.3390/antibiotics8020073
Green submitted, Green published, Gold
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6
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Design, synthesis, in vitro, in vivo and in silico pharmacological characterization of antidiabetic N-Boc-L-tyrosine-based compounds
Angel Herrera-Rueda, Miguel; Tlahuext, Hugo; Paoli, Paolo; Giacoman-Martinez, Abraham; Cesar Almanza-Perez, Julio; Perez-Sanchez, Horacio; Gutierrez-Hernandez, Abraham; Chavez-Silva, Fabiola; Alberto Dominguez-Mendoza, Elix; Estrada-Soto, Samuel; Navarrete
BIOMEDICINE & PHARMACOTHERAPY
0753-3322 (2018)
DOI /
10.1016/j.biopha.2018.09.074
Gold other, Green published
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3
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4
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Review
Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks
Ghasemi, Fahimeh; Mehridehnavi, Alireza; Perez-Garrido, Alfonso; Perez-Sanchez, Horacio
DRUG DISCOVERY TODAY
1359-6446 (2018)
DOI /
10.1016/j.drudis.2018.06.016
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7
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BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases
Banegas-Luna, Antonio J.; Ceron-Carrasco, Jose P.; Puertas-Martin, Savins; Perez-Sanchez, Horacio
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2019)
DOI /
10.1021/acs.jcim.9b00279
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3
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Advances in distributed computing with modern drug discovery
Jesus Banegas-Luna, Antonio; Imbernon, Baldomero; Llanes Castro, Antonio; Perez-Garrido, Alfonso; Ceron-Carrasco, Jose Pedro; Gesing, Sandra; Merelli, Ivan; D'Agostino, Daniele; Perez-Sanchez, Horacio
EXPERT OPINION ON DRUG DISCOVERY
1746-0441 (2019)
DOI /
10.1080/17460441.2019.1552936
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3
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Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda
Mendez-Alvarez, Domingo; Herrera-Mayorga, Veronica; Juarez-Saldivar, Alfredo; Paz-Gonzalez, Alma D.; Ortiz-Perez, Eyra; Bandyopadhyay, Debasish; Perez-Sanchez, Horacio; Rivera, Gildardo
MOLECULAR DIVERSITY
1381-1991 (2021)
DOI /
10.1007/s11030-021-10312-5
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4
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Review
A review of ligand-based virtual screening web tools and screening algorithms in large molecular databases in the age of big data
Banegas-Luna, Antonio-Jesus; Ceron-Carrasco, Jose P.; Perez-Sanchez, Horacio
FUTURE MEDICINAL CHEMISTRY
1756-8919 (2018)
DOI /
10.4155/fmc-2018-0076
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5
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Editorial Material
Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts?
Puertas-Martin, Savins; Banegas-Luna, Antonio J.; Paredes-Ramos, Maria; Redondo, Juana L.; Ortigosa, Pilar M.; Brovarets', Ol'ha O.; Perez-Sanchez, Horacio
EXPERT OPINION ON DRUG DISCOVERY
1746-0441 (2020)
DOI /
10.1080/17460441.2020.1758664
Bronze
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2
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Article
Acetylcholinesterase inhibitory assessment of isolated constituents from Salsola grandis Freitag, Vural & Adiguzel and molecular modeling studies on N-acetyltryptophan
Orhan, Ilkay Erdogan; Kucukboyaci, Nurgun; Calis, Ihsan; Ceron-Carrasco, Jose P.; den-Haan, Helena; Pena-Garcia, Jorge; Perez-Sanchez, Horacio
PHYTOCHEMISTRY LETTERS
1874-3900 (2017)
DOI /
10.1016/j.phytol.2016.10.017
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1
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Sedative-hypnotic-like effect and molecular docking of di-naphthodiospyrol from Diospyros lotus in an animal model
Rauf, Abdur; Ben Hadda, Taibi; Uddin, Ghias; Ceron-Carrasco, Jose P.; Pena-Garcia, Jorge; Perez-Sanchez, Horacio; Khan, Haroon; Bawazeer, Saud; Patel, Seema; Mubarak, Mohammad S.; Abu-Izneid, Tareq; Mabkhot, Yahia Nasser
BIOMEDICINE & PHARMACOTHERAPY
0753-3322 (2017)
DOI /
10.1016/j.biopha.2017.01.043
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1
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Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations
Bai, Qifeng; Perez-Sanchez, Horacio; Shi, Zhuoyu; Li, Lanlan; Shi, Danfeng; Liu, Huanxiang; Yao, Xiaojun
CHEMICAL BIOLOGY & DRUG DESIGN
1747-0277 (2018)
DOI /
10.1111/cbdd.13181
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1
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DIA-DB: A Database and Web Server for the Prediction of Diabetes Drugs
Perez-Sanchez, Horacio; den-Haan, Helena; Pena-Garcia, Jorge; Lozano-Sanchez, Jesus; Martinez Moreno, Maria Encarnacion; Sanchez-Perez, Antonia; Munoz, Andres; Ruiz-Espinosa, Pedro; Pereira, Andreia S. P.; Katsikoudi, Antigoni; Gabaldon Hernandez, Jose Ant
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2020)
DOI /
10.1021/acs.jcim.0c00107
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2
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Sedative, Muscle Relaxant-Like Effects, and Molecular Docking Study of Compounds Isolated from Salvia leriifolia
Hussain, Amjad; Rauf, Abdur; Abu-Izneid, Tareq; Ibrahim, Muhammad; Abrar, Shazia; Khan, Haroon; Barkath Ullah; Ceron-Carrasco, Jose Pedro; Perez-Sanchez, Horacio; Choudhary, Muhammad Iqbal; Mubarak, Mohammad S.; Shariati, Mohammad Ali; Mabkhot, Yahia N.; B
REVISTA BRASILEIRA DE FARMACOGNOSIA-BRAZILIAN JOURNAL OF PHARMACOGNOSY
0102-695X (2020)
DOI /
10.1007/s43450-020-00046-0
Bronze
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Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking
Yadav, Dharmendra K.; Saloni; Sharma, Praveen; Misra, Sanjeev; Singh, Harpreet; Mancera, Ricardo L.; Kim, Kang; Jang, Cheongyun; Kim, Mi-Hyun; Perez-Sanchez, Horacio; Choi, Eun Ha; Kumar, Surendra
ARCHIVES OF PHARMACAL RESEARCH
0253-6269 (2018)
DOI /
10.1007/s12272-017-0945-7
