Lobato, Júlio Cesar Mendes Arouche, Tiago da Silva Nero, Jordan Del Filho, TarcisoAndrade Borges, Rosivaldo Dos Santos Neto, Antonio Maia de Jesus Chaves
Published in
Journal of molecular structure
Molecular modeling techniques are used to describe the process of interaction between nanotubes and the main structures of the Covid-19 virus: the envelope protein, the main protease, and the Spike glycoprotein. Molecular docking studies show that the ligands have interaction characteristics capable of adsorbing the structures. Molecular dynamics s...
Archana, Vikaraman P Armaković, Sanja J Armaković, Stevan Celik, Ismail Bhagyasree, J B Dinesh Babu, K V Rudrapal, Mithun Divya, Indira S Pillai, Renjith Raveendran
Published in
Journal of molecular structure
Developing modifiable natural products those having antiviral activities against SARS-CoV-2 is a key research area which is popular in current scenario of COVID pandemic. A diaryl heptanoid curcumin and its derivatives are already presenting promising candidates for anti-viral drug development. We have synthesized single crystals of a dimethylamino...
Manikanttha, Matta Deepti, Kolli Tej, Mandava Bhuvan Tej, Mandava Bhagya Gopi Reddy, A Kapavarapu, Ravikumar Barange, Deepak Kumar V Basaveswara Rao, M Pal, Manojit
Published in
Journal of molecular structure
The in silico evaluation of 11H-pyrido[2,1-b]quinazolin-11-one derivatives against SARS-CoV-2 RdRp was undertaken based on the reports on antiviral activities of this class of compounds in addition to the promising interactions of the antiviral drug penciclovir as well as quinazoline derivatives with SARS-CoV-2 RdRp in silico. The target compounds ...
Aleebrahim-Dehkordi, Elahe Ghoshouni, Hamed Koochaki, Pooneh Esmaili-Dehkordi, Mohsen Aleebrahim, Elham Chichagi, Fatemeh Jafari, Ali Hanaei, Sara Heidari-Soureshjani, Ehsan Rezaei, Nima
...
Published in
Journal of Molecular Structure
Image, graphical abstract Study of inhibition of RNA Polymerase by natural bioactive compound naringenin.
Azzouzi, Mohamed Ouafi, Zainab El Azougagh, Omar Daoudi, Walid Ghazal, Hassan Barkany, Soufian El Abderrazak, Rfaki Mazières, Stéphane Aatiaoui, Abdelmalik El Oussaid, Adyl
...
Published in
Journal of Molecular Structure
Image, graphical abstract
Ravisankar, N. Sarathi, N. Maruthavanan, T. Ramasundaram, Subramaniyan Ramesh, M. Sankar, C. Umamatheswari, S. Kanthimathi, G. Oh, Tae Hwan
Published in
Journal of Molecular Structure
Image, graphical abstract
Jia, Ze-jun Lan, Xiao-wei Lu, Kui Meng, Xuan Jing, Wen-jie Jia, Shi-ru Zhao, Kai Dai, Yu-jie
Published in
Journal of Molecular Structure
Image, graphical abstract
Houas, Noudjoud Kitouni, Siham Chafai, Nadjib Ghedjati, Samira Djenane, Meriem Tounsi, Assia
Published in
Journal of Molecular Structure
Image, graphical abstract
Ansari, Shaghaf Mobin Khanum, Ghazala Bhat, Muneer-Ul-Shafi Rizvi, Masood Ahmad Reshi, Noor U Din Ganie, Majid Ahmad Javed, Saleem Shah, Bhahwal Ali
Published in
Journal of Molecular Structure
Image, graphical abstract
Cardoso-Ortiz, Jaime Leyva-Ramos, Socorro Baines, Kim M Gómez-Durán, Cesar Fernando Azael Hernández-López, Hiram Palacios-Can, Francisco José Valcarcel-Gamiño, José Antonio Leyva-Peralta, Mario Alberto Razo-Hernández, Rodrigo Said
Published in
Journal of molecular structure
This study was designed to synthesize hybridizing molecules from ciprofloxacin and norfloxacin by enhancing their biological activity with tetrazoles. The synthesized compounds were investigated in the interaction with the target enzyme of fluoroquinolones (DNA gyrase) and COVID-19 main protease using molecular similarity, molecular docking, and QS...
