Rolta, Rajan Yadav, Rohitash Salaria, Deeksha Trivedi, Shubham Imran, Mohammad Sourirajan, Anuradha Baumler, David J Dev, Kamal
Published in
Journal of biomolecular structure & dynamics
Currently, there is no specific treatment to cure COVID-19. Many medicinal plants have antiviral, antioxidant, antibacterial, antifungal, anticancer, wound healing etc. Therefore, the aim of the current study was to screen for potent inhibitors of N-terminal domain (NTD) of nucleocapsid phosphoprotein of SARS-CoV-2. The structure of NTD of RNA bind...
Chand, Yamini Singh, Sachidanand
Published in
Microbial pathogenesis
Salmonella enterica serovar Typhi (S. Typhi), a causative agent of typhoid fever, is a Gram-negative, human-restricted pathogen that causes significant morbidity and mortality, particularly in developing countries. The currently available typhoid vaccines are not recommended to children below six years of age and have poor long-term efficacy. Due t...
Şimşek, Yusuf Baran, Sahra Setenay Aslım, Belma
Published in
Journal of Molecular Graphics & Modelling
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Karimian, Somaye Kazemi, Fatemeh Attarroshan, Mahshid Gholampour, Maryam Hemmati, Shiva Sakhteman, Amirhossein Behzadipour, Yasaman Kabiri, Maryam Iraji, Aida Khoshneviszadeh, Mehdi
...
Published in
BMC Chemistry
A series of symmetrical azine derivatives containing different substituted benzyl moieties were designed, synthesized, and evaluated for their inhibitory activity against tyrosinase. The results showed that compounds 3e , 3f , 3h , 3i , 3j, and 3k possess effective tyrosinase inhibition with IC50 values ranging from 7.30 μM to 62.60 μM. Particularl...
Zhang, Zhiwei Liu, Yang Zhao, Jing Li, Wenqiang Hu, Ruiwen Li, Xia Li, Aitao Wang, Yaping Ma, Lixin
Published in
BMC Biotechnology
Background The unnatural amino acid, L-2-aminobutyric acid (L-ABA) is an essential chiral building block for various pharmaceutical drugs, such as the antiepileptic drug levetiracetam and the antituberculosis drug ethambutol. The present study aims at obtaining variants of ω-transaminase from Ochrobactrum anthropi (OATA) with high catalytic activit...
Elmorsy, Mohammad A. El-Baz, Ahmed M. Mohamed, Nashwa H. Almeer, Rafa Abdel-Daim, Mohamed M. Yahya, Galal
Published in
Environmental Science and Pollution Research International
Coronavirus disease (COVID-19) is an emerging pandemic that threatens the world since the early days of 2020. Development of vaccines or new drugs against COVID-19 comprises several stages of investigation including efficacy, safety, and approval studies. A shortcut to this delicate pathway is computational-based analysis of FDA-approved drugs agai...
Lakhera, Shradha Devlal, Kamal Ghosh, Arabinda Rana, Meenakshi
Published in
Results in Chemistry
Unavailability of treatment for the SARS-CoV-2 virus has raised concern among the population worldwide. This has led to many attempts to find alternative options to prevent the infection of the disease, including focusing on vaccines and drugs. The use of natural products and herbal extracts can be a better option in beating the virus and boosting ...
Shahabadi, Nahid Zendehcheshm, Saba Mahdavi, Mohammad Khademi, Fatemeh
Published in
Informatics in Medicine Unlocked
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Piplani, Sakshi Singh, Puneet Kumar Winkler, David A. Petrovsky, Nikolai
Published in
Molecular Biomedicine
Repurposing of existing drugs and drug candidates is an ideal approach to identify new potential therapies for SARS-CoV-2 that can be tested without delay in human trials of infected patients. Here we applied a virtual screening approach using Autodock Vina and molecular dynamics simulation in tandem to calculate binding energies for repurposed dru...
Gurung, Arun Bahadur Ali, Mohammad Ajmal Lee, Joongku Farah, Mohammad Abul Al-Anazi, Khalid Mashay Sami, Hiba
Published in
Saudi Journal of Biological Sciences
Human serum albumin (HSA) is the most prevalent protein in the blood plasma which binds an array of exogenous compounds. Drug binding to HSA is an important consideration when developing new therapeutic molecules, and it also aids in understanding the underlying mechanisms that govern their pharmacological effects. This study aims to investigate th...
