Results 41 to 50 of about 64,020 (238)

Evaluation of a novel virtual screening strategy using receptor decoy binding sites [PDF]

, 2016
Virtual screening is used in biomedical research to predict the binding affinity of a large set of small organic molecules to protein receptor targets.
Kukol, A., Kukol, A., Patel, H., Patel, H.   +3 more
core   +2 more sources

Docking-Based Virtual Screening and Molecular Dynamics Simulations of Quercetin Analogs as Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors of Mycobacterium tuberculosis

Scientia Pharmaceutica, 2021
The emergence of multidrug-resistant Mycobacterium tuberculosis (MTB) has become a major problem in treating tuberculosis (TB) and shows the need to develop new and efficient drugs for better TB control.
D. A. E. Pitaloka, D. S. F. Ramadhan, Arfan, L. Chaidir, T. M. Fakih   +4 more
semanticscholar   +1 more source

Design, Synthesis and Molecular Docking of Novel Acetophenone-1,2,3-Triazoles Containing Compounds as Potent Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors

Pharmaceuticals, 2022
New medications are desperately needed to combat rising drug resistance among tuberculosis (TB) patients. New agents should ideally work through unique targets to avoid being hampered by preexisting clinical resistance to existing treatments.
F. Albelwi, Hanaa M. Abdu Mansour, M. M. Elshatanofy, Y. El Kilany, K. Kandeel, Bassma H. Elwakil, M. Hagar, M. Aouad, E. El Ashry, N. Rezki, Maged A El Sawy   +10 more
semanticscholar   +1 more source

End to End Performance Analysis of Relay Cooperative Communication Based on Parked Cars

, 2018
Parking lots (PLs) are usually full with cars. If these cars are formed into a self-organizing vehicular network, they can be new kind of road side units (RSUs) in urban area to provide communication data forwarding between mobile terminals nearby and a ...
Bai, Zhiquan, Han, Tao, Kwak, Kyung Sup, Sun, Yingying, Wang, Lijun, Yao, Xuming   +5 more
core   +1 more source

Identification of novel inhibitors targeting Mycobacterium abscessus InhA through virtual screening, docking, and molecular dynamic simulations

Scientific Reports
Effective treatment options for Mycobacterium abscessus (MAB) pulmonary diseases (PD) are limited due to inadequate drug efficacy, rising drug resistance, and genetic mutations. New compounds are urgently needed to treat MAB-PD.
Munawar Abbas, Abdullah R. Alanzi, Kashif Iqbal Sahibzada, Mariyam Nawaz, Ghulam Fatima, Dongqing Wei   +5 more
semanticscholar   +1 more source

Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA

International Journal of Molecular Sciences, 2022
Given the current epidemic of multidrug-resistant tuberculosis, there is an urgent need to develop new drugs to combat drug-resistant tuberculosis. Direct inhibitors of the InhA target do not require activation and thus can overcome drug resistance ...
Qianqian Zhang, Jianting Han, Yongchang Zhu, Shuoyan Tan, Huanxiang Liu   +4 more
semanticscholar   +1 more source

Typology of civic identity

Current Issues in Personality Psychology, 2022
Background Civic identity is considered a kind of organizational identity, which is a value-semantic experience of the individual’s identity with themself as a citizen of the state.
Inha Petrovska
doaj   +1 more source

Performance Analysis of Two-Hop Cooperative MIMO transmission with Relay Selection in Rayleigh Fading Channel

, 2009
Wireless relaying is one of the promising solutions to overcome the channel impairments and provide high data rate coverage that appears for beyond 3G mobile communications.
Kabir, Humaun, Kwak, Kyung Sup, Nessa, Ahasanun, Ullah, Sana, Yang, Qinghai   +4 more
core   +1 more source

Constitutively active transforming growth factor β receptor 1 in the mouse ovary promotes tumorigenesis [PDF]

, 2016
Despite the well-established tumor suppressive role of TGFβ proteins, depletion of key TGFβ signaling components in the mouse ovary does not induce a growth advantage.
Bartholin, Laurent, Davis, Anna Jane, Gao, Yang, Li, Qinglei, Sansom, Owen, Vincent, David   +5 more
core   +1 more source

Identification of 2-(N-aryl-1,2,3-triazol-4-yl) quinoline derivatives as antitubercular agents endowed with InhA inhibitory activity

Frontiers in Chemistry
The spread of drug-resistant tuberculosis strains has become a significant economic burden globally. To tackle this challenge, there is a need to develop new drugs that target specific mycobacterial enzymes.
Ahmed Sabt, Maha-Hamadien Abdulla, Manal S. Ebaid, Jakub Pawełczyk, Hayam A. Abd El Salam, Ninh The Son, Nguyen Xuan Ha, Mansoor-Ali Vaali Mohammed, T. Traiki, Ahmed E Elsawi, B. Dziadek, Jarosław Dziadek, Wagdy M. Eldehna   +12 more
semanticscholar   +1 more source