Search Results - "Journal of biomolecular structure & dynamics"

Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes by Elmezayen, Ammar D., Al-Obaidi, Anas, Şahin, Alp Tegin, Yelekçi, Kemal

“…In December 2019, COVID-19 epidemic was described in Wuhan, China, and the infection has spread widely affecting hundreds of thousands. Herein, an effort was…”
Get full text

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment by Boopathi, Subramanian, Poma, Adolfo B., Kolandaivel, Ponmalai

“…In the past two decades, the world has faced several infectious disease outbreaks. Ebola, Influenza A (H1N1), SARS, MERS, and Zika virus have had a massive…”
Get full text

A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin by Hasan, Anwarul, Paray, Bilal Ahamad, Hussain, Arif, Qadir, Fikry Ali, Attar, Farnoosh, Aziz, Falah Mohammad, Sharifi, Majid, Derakhshankhah, Hossein, Rasti, Behnam, Mehrabi, Masoumeh, Shahpasand, Koorosh, Saboury, Ali Akbar, Falahati, Mojtaba

“…The widespread antigenic changes lead to the emergence of a new type of coronavirus (CoV) called as severe acute respiratory syndrome (SARS)-CoV-2 that is…”
Get full text

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease by C, Shivanika, S., Deepak Kumar, Ragunathan, Venkataraghavan, Tiwari, Pawan, A., Sumitha, P, Brindha Devi

“…The study aims to evaluate the potency of two hundred natural antiviral phytocompounds against the active site of the Severe Acquired Respiratory Syndrome -…”
Get full text

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2 by Islam, Rajib, Parves, Md. Rimon, Paul, Archi Sundar, Uddin, Nizam, Rahman, Md. Sajjadur, Mamun, Abdulla Al, Hossain, Md. Nayeem, Ali, Md. Ackas, Halim, Mohammad A.

“…The main protease of SARS-CoV-2 is one of the important targets to design and develop antiviral drugs. In this study, we have selected 40 antiviral…”
Get full text

Using X-ray images and deep learning for automated detection of coronavirus disease by El Asnaoui, Khalid, Chawki, Youness

“…Coronavirus is still the leading cause of death worldwide. There are a set number of COVID-19 test units accessible in emergency clinics because of the…”
Get full text

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches by Kumar, Anuj, Choudhir, Gourav, Shukla, Sanjeev Kumar, Sharma, Mansi, Tyagi, Pankaj, Bhushan, Arvind, Rathore, Madhu

“…Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly…”
Get full text

Analysis of the interaction behavior between Nano-Curcumin and two human serum proteins: combining spectroscopy and molecular stimulation to understand protein-protein interaction by Mokaberi, Parisa, Babayan-Mashhadi, Fatemeh, Amiri Tehrani Zadeh, Zeinab, Saberi, Mohammad Reza, Chamani, Jamshidkhan

“…In this study, we have investigated the effects of Nano-curcumin (Nano-CUR) binding on HSA-HTF interactions as binary and ternary systems, which had been done…”
Get full text

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations by Aanouz, I., Belhassan, A., El-Khatabi, K., Lakhlifi, T., El-ldrissi, M., Bouachrine, M.

“…The new Corona-virus, recently called the severe acute respiratory syndrome Coronavirus (SARS-CoV-2) appears for the first time in China and more precisely in…”
Get full text

Peptide-like and small-molecule inhibitors against Covid-19 by Pant, Suyash, Singh, Meenakshi, Ravichandiran, V., Murty, U. S. N., Srivastava, Hemant Kumar

“…Coronavirus disease strain (SARS-CoV-2) was discovered in 2019, and it is spreading very fast around the world causing the disease Covid-19. Currently, more…”
Get full text

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study by Das, Sourav, Sarmah, Sharat, Lyndem, Sona, Singha Roy, Atanu

“…A new strain of a novel infectious disease affecting millions of people, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has recently…”
Get full text

In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel by Gupta, Manoj Kumar, Vemula, Sarojamma, Donde, Ravindra, Gouda, Gayatri, Behera, Lambodar, Vadde, Ramakrishna

“…Recent outbreak of Coronavirus disease (COVID-19) pandemic around the world is associated with 'severe acute respiratory syndrome' (SARS-CoV2) in humans…”
Get full text

Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development by Pandey, Preeti, Rane, Jitendra Subhash, Chatterjee, Aroni, Kumar, Abhijeet, Khan, Rajni, Prakash, Amresh, Ray, Shashikant

“…Spike glycoprotein, a class I fusion protein harboring the surface of SARS-CoV-2 (SARS-CoV-2S), plays a seminal role in the viral infection starting from…”
Get full text

Antiviral effects of probiotic metabolites on COVID-19 by Anwar, Firoz, Altayb, Hisham N., Al-Abbasi, Fahad A., Al-Malki, Abdulrahman L., Kamal, Mohammad Amjad, Kumar, Vikas

“…SARS coronavirus (COVID-19) is a real health challenge of the 21st century for scientists, health workers, politicians, and all humans that has severe cause…”
Get full text

Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an in silico docking and molecular dynamics simulation study by Ghosh, Rajesh, Chakraborty, Ayon, Biswas, Ashis, Chowdhuri, Snehasis

“…Coronavirus disease 2019 (COVID-19) is a viral respiratory disease which caused global health emergency and announced as pandemic disease by World Health…”
Get full text

Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants - Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) - a molecular docking study by Shree, Priya, Mishra, Priyanka, Selvaraj, Chandrabose, Singh, Sanjeev Kumar, Chaube, Radha, Garg, Neha, Tripathi, Yamini Bhusan

“…COVID-19 (Coronavirus disease 2019) is a transmissible disease initiated and propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory…”
Get full text

Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study by Enayatkhani, Maryam, Hasaniazad, Mehdi, Faezi, Sobhan, Gouklani, Hamed, Davoodian, Parivash, Ahmadi, Nahid, Einakian, Mohammad Ali, Karmostaji, Afsaneh, Ahmadi, Khadijeh

“…At present, novel Coronavirus (2019-nCoV, the causative agent of COVID-19) has caused worldwide social and economic disruption. The disturbing statistics of…”
Get full text

In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain) by Sarma, Phulen, Shekhar, Nishant, Prajapat, Manisha, Avti, Pramod, Kaur, Hardeep, Kumar, Subodh, Singh, Sanjay, Kumar, Harish, Prakash, Ajay, Dhibar, Deba Prasad, Medhi, Bikash

“…The N terminal domain (NTD) of Nucleocapsid protein (N protein) of coronavirus (CoV) binds to the viral (+) sense RNA and results in CoV ribonucleoprotien (CoV…”
Get full text

Natural products may interfere with SARS-CoV-2 attachment to the host cell by Elfiky, Abdo A.

“…SARS-CoV-2 has been emerged in December 2019 in China, causing deadly (5% mortality) pandemic pneumonia, termed COVID-19. More than one host-cell receptor is…”
Get full text

An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets by Sinha, Saurabh K., Shakya, Anshul, Prasad, Satyendra K., Singh, Shashikant, Gurav, Nilambari S., Prasad, Rupali S., Gurav, Shailendra S.

“…The Public Health Emergency of International Concern declared the widespread outbreak of SARS-CoV-2 as a global pandemic emergency, which has resulted in…”
Get full text