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Original Artikel |
Datum |
Titel |
Autoren Alle Autoren |
| 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, et al. (+2) 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―Mrz―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―Mrz―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―Mrz―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, et al. (+4) 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, et al. (+2) 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, et al. (+9) 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, et al. (+2) 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 |
