| |
original article |
Date |
Title |
Authors Max. 6 Authors |
| 1 |
[GO] |
2023―Jul―11 |
Investigation of SARS-CoV-2 potential inhibition of some ingol derivatives, using Molecular Docking and dynamic simulation |
Nabil Nor, Soukaina Zahm, Noureddine Mazoir, Habib El Alaoui El Abdallaoui, Ahmed Benharref, Mohamed Bakhouch, Redouane Mghaiouini, Salah Mohammed |
| 2 |
[GO] |
2023―Jan―19 |
Computational investigation into Nirematrelvir/Ritonavir synergetic efficiency compared with some approved antiviral drugs targeting main protease (Mpro) SARS-CoV-2 Omicron variant |
A. Makhloufi, R. Ghemit, M. El Kolli, M. Baitiche |
| 3 |
[GO] |
2022―Nov―03 |
A comparative study of 5- fluorouracil, doxorubicin, methotrexate, paclitaxel for their inhibition ability for Mpro of nCoV: Molecular docking and molecular dynamics simulations |
Madhur Babu Singh, Vijay Kumar Vishvakarma, Aditya Aryan Lal, Ramesh Chandra, Pallavi Jain, Prashant Singh |
| 4 |
[GO] |
2022―Sep―29 |
Glucosamine and maltol anchored Zinc(II) complex of COVID-19 health supplement relevance: DFT collaborated spectroscopic formulation with profound biological implications |
Jan Mohammad Mir, Bashir Ahmad Malik, Mohd Washid Khan |
| 5 |
[GO] |
2022―Aug―31 |
Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations |
Hanine Hadni, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi |
| 6 |
[GO] |
2022―Aug―06 |
Synergistic effect of Si-doping and Fe2O3-encapsulation on drug delivery and sensor applications of γ-graphyne nanotube toward favipiravir as an antiviral for COVID-19: A DFT study |
Mohammad Amin Asgari, Nasim Bahmani |
| 7 |
[GO] |
2022―Jul―13 |
The role of herbal plants in the inhibition of SARS-CoV-2 main protease: A computational approach |
Ambrish Kumar Srivastava, Abhishek Kumar, Harshita Srivastava, Neeraj Misra |
| 8 |
[GO] |
2022―Jun―28 |
Intermolecular charge-transfer complexes between chlorothiazide antihypertensive drug against iodine sigma and picric acid pi acceptors: DFT and molecular docking interaction study with Covid-19 protease |
Ghaferah H. Al-Hazmi, Asmaa A. Ibrahim, Moamen S. Refat, Farouk A. Adam, Ahmed Allam, Sonam Shakya, Amnah Mohammed Alsuhaibani |
| 9 |
[GO] |
2022―Jun―15 |
Molecular docking and dynamic simulation of approved drugs targeting against spike protein (6VXX) of 2019-nCoV (novel coronavirus) |
Abhinay Thakur, Dikshita Bansode, Pragati Ghare, Shrutika Sakpal |
| 10 |
[GO] |
2022―Apr―25 |
Targeting non-structural proteins and 3CLpro in SARS-CoV-2 virus using phytochemicals from medicinal plants - In-silico approach |
Haritha Rajaram, N. Harshitha, Shweta A. Ram, Swarna M. Patra, Vidya Niranjan, K.A. Vishnumurthy |
| 11 |
[GO] |
2022―Mar―18 |
In Silico study for acyclovir, ganciclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations |
Madhur Babu singh, Pallavi Jain, Jaya Tomar, Vinod Kumar, Indra Bahadur, Dinesh Kumar Arya, Prashant Singh |
| 12 |
[GO] |
2022―Mar―07 |
Antioxidant properties, anti- SARS-CoV-2 study, collagenase and elastase inhibition effects, anti-human lung cancer potential of some phenolic compounds |
Liang Wei, Zhenhui Liao, Haili Ma, Jingjing Wei, Chenyuan Peng |
| 13 |
[GO] |
2022―Mar―07 |
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 dynamics simulation study |
Maheswata Moharana, Anuradha Das, Satya Narayan Sahu, Subrat Kumar Pattanayak, Fahmida Khan |
| 14 |
[GO] |
2021―Nov―19 |
In silico validation of anti-viral drugs obtained from marine sources as a potential target against SARS-CoV-2 Mpro |
Srijit Ghosh, Srijita Das, Iqrar Ahmad, Harun Patel |
| 15 |
[GO] |
2021―Nov―06 |
A brief survey of COVID-19 and role of photochemicals to prevent the infection |
Sanjoy Pal, Trinath Chowdhury, Kishalay Paria, Sounik Manna, Sana Parveen, Manjeet Sing, Pralay Sharma, Sk Saruk Islam, Sk Md Abu Imam Saadi, Santi M. Mandal |
| 16 |
[GO] |
2021―Sep―15 |
Genomic Variation and Point mutations analysis of Indian COVID-19 patient samples submitted in GISAID database |
Shikha Mudgal, Rohitash Yadav, Hoineiting Rebecca Haokip, Ananya Pandit, Y.Sheena Mary |
| 17 |
[GO] |
2021―Sep―15 |
Molecular docking identification for the efficacy of natural limonoids against COVID-19 virus main protease |
Victor Moreira de Oliveira, Marcia Machado Marinho, Emanuel Paula Magalhães, Ramon Róseo Paula Pessoa Bezerra de Menezes, Tiago Lima Sampaio, Alice Maria Costa Martins, Hélcio Silva dos Santos, Emmanuel Silva Marinho |
| 18 |
[GO] |
2021―Sep―15 |
Sustainable Chemical Preventive Models in COVID-19: Understanding, Innovation, Adaptations, and Impact |
Abhishek Mishra, Trupti R. Das, Pupulata Saren, Prama Bhattacherjee, Nitika Thakur, Sunil Kumar Tripathi, Shashank Upadhaya, Heui-Soo Kim, Arul Natarajan Murugan, Ashutosh Tiwari, Santanu Patra, Chaudhery Mustansar Hussain, Anshuman Mishra, Sudheesh K. Shukla, Girish M. Joshi |
| 19 |
[GO] |
2021―Aug―08 |
Molecular Docking Studies of HIV TAT and sitagliptin nano-formula as potential therapeutic targeting SARS-CoV2 protease |
Hani Z. Asfour, Nabil A. Alhakamy, Khalid Eljaaly, Ahmed L. Aloafi, Mohamed A. Tantawy, Khulood S. Hussein, Ahmed A. Aldarmahi, Mahmoud A. Elfaky |
| 20 |
[GO] |
2021―Apr―21 |
A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme |
Selami Ercan, Ercan Çınar |
