A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme()

por Ercan, Selami, Çınar, Ercan
Publicado 2021

Molecular docking studies of HIV TAT and sitagliptin nano-formula as potential therapeutic targeting SARS-CoV2 protease

por Asfour, Hani Z., Alhakamy, Nabil A., Eljaaly, Khalid, Alaofi, Ahmed L., Tantawy, Mohamed A., Hussein, Khulood S., Aldarmahi, Ahmed A., Elfaky, Mahmoud A.
Publicado 2021

Molecular docking identification for the efficacy of natural limonoids against COVID-19 virus main protease

por de Oliveira, Victor Moreira, Marinho, Márcia Machado, Magalhães, Emanuel Paula, de Menezes, Ramon Róseo Paula Pessoa Bezerra, Sampaio, Tiago Lima, Costa Martins, Alice Maria, dos Santos, Hélcio Silva, Marinho, Emmanuel Silva
Publicado 2021

Genomic variation and point mutations analysis of Indian COVID-19 patient samples submitted in GISAID database

por Mudgal, Shikha, Yadav, Rohitash, Haokip, Hoineiting Rebecca, Pandit, Ananya, Mary, Y. Sheena
Publicado 2021

Sustainable chemical preventive models in COVID-19: Understanding, innovation, adaptations, and impact

por Mishra, Abhishek, Choudhary, Meenakshi, Das, Trupti R., Saren, Pupulata, Bhattacherjee, Prama, Thakur, Nitika, Tripathi, Sunil Kumar, Upadhaya, Shashank, Kim, Heui-Soo, Murugan, Natarajan Arul, Tiwari, Ashutosh, Patra, Santanu, Hussain, Chaudhery Mustansar, Mishra, Anshuman, Shukla, Sudheesh K., Joshi, Girish M.
Publicado 2021

Brief survey on phytochemicals to prevent COVID-19

por Pal, Sanjoy, Chowdhury, Trinath, Paria, Kishalay, Manna, Sounik, Parveen, Sana, Singh, Manjeet, Sharma, Pralay, Islam, Sk Saruk, Abu Imam Saadi, Sk Md, Mandal, Santi M.
Publicado 2022

In silico validation of anti-viral drugs obtained from marine sources as a potential target against SARS-CoV-2 M(pro)

por Ghosh, Srijit, Das, Srijita, Ahmad, Iqrar, Patel, Harun
Publicado 2021

In silico study of remdesivir with and without ionic liquids having different cations using DFT calculations and molecular docking

por Kumari, Kamlesh, Kumar, Ajay, Singh, Prashant, Kaushik, Nagendra Kumar
Publicado 2022

Antioxidant properties, anti- SARS-CoV-2 study, collagenase and elastase inhibition effects, anti-human lung cancer potential of some phenolic compounds

por Wei, Liang, Liao, Zhenhui, Ma, Haili, Wei, Jingjing, Peng, Chenyuan
Publicado 2022

Evaluation of binding performance of bioactive compounds against main protease and mutant model spike receptor binding domain of SARS-CoV-2: Docking, ADMET properties and molecular...

por Moharana, Maheswata, Das, Anuradha, Sahu, Satya Narayan, Pattanayak, Subrat Kumar, Khan, Fahmida
Publicado 2022

An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations

por Babu Singh, Madhur, Jain, Pallavi, Tomar, Jaya, Kumar, Vinod, Bahadur, Indra, Arya, Dinesh Kumar, Singh, Prashant
Publicado 2022

Targeting non-structural proteins and 3CL(pro) in SARS-CoV-2 virus using phytochemicals from medicinal plants - In-silico approach

por Rajaram, Haritha, Harshitha, N., Ram, Shweta A., Patra, Swarna M., Niranjan, Vidya, Vishnumurthy, K.A.
Publicado 2022

Molecular docking and dynamic simulation of approved drugs targeting against spike protein (6VXX) of 2019-nCoV (novel coronavirus)

por Thakur, Abhinay, Bansode, Dikshita, Ghare, Pragati, Sakpal, Shrutika
Publicado 2022

The role of herbal plants in the inhibition of SARS-CoV-2 main protease: A computational approach

por Srivastava, Ambrish Kumar, Kumar, Abhishek, Srivastava, Harshita, Misra, Neeraj
Publicado 2022

Synergistic effect of Si-doping and Fe(2)O(3)-encapsulation on drug delivery and sensor applications of γ-graphyne nanotube toward favipiravir as an antiviral for COVID-19: A DFT s...

por Asgari, Mohammad Amin, Bahmani, Nasim
Publicado 2022

Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations

por Hadni, Hanine, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Publicado 2022

Glucosamine and maltol anchored Zinc(II) complex of COVID-19 health supplement relevance: DFT collaborated spectroscopic formulation with profound biological implications

por Mir, Jan Mohammad, Malik, Bashir Ahmad, Khan, Mohd Washid
Publicado 2022

A comparative study of 5- fluorouracil, doxorubicin, methotrexate, paclitaxel for their inhibition ability for Mpro of nCoV: Molecular docking and molecular dynamics simulations

por Singh, Madhur Babu, Vishvakarma, Vijay Kumar, Lal, Aditya Aryan, Chandra, Ramesh, Jain, Pallavi, Singh, Prashant
Publicado 2022

Computational investigation into Nirematrelvir/Ritonavir synergetic efficiency compared with some approved antiviral drugs targeting main protease (M(pro)) SARS-CoV-2 Omicron varia...

por Makhloufi, Abdesselam, Ghemit, Rima, El Kolli, Meriem, Baitiche, Milad
Publicado 2023