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original article |
Date |
Title |
Authors All Authors |
1 |
[GO] |
2024―Sep―29 |
Computational targeting of iron uptake proteins in Covid-19 induced mucormycosis to identify inhibitors via molecular dynamics, molecular mechanics and density function theory studies |
Manjima Sen, B. M. Priyanka, D. Anusha, S. Puneetha, Anagha S. Setlur, Chandrashekar Karunakaran, et al. (+3) Amulya Tandur, C. S. Prashant, Vidya Niranjan |
2 |
[GO] |
2024―Aug―16 |
In silico analysis of balsaminol as anti-viral agents targeting SARS-CoV-2 main protease, spike receptor binding domain and papain-like protease receptors |
Daniel Danladi Gaiya, Aliyu Muhammad, Joy Sim Musa, Richard Auta, Anthony John Dadah, Rachael Oluwafunmilayo Bello, et al. (+4) Madinat Hassan, Samuel Sunday Eke, Rebecca Imoo Odihi, Musa Sankey |
3 |
[GO] |
2024―Mar―28 |
Exploring the viability of Zeatin as a prospective therapeutic candidate for investigating the complex interplay between severe acute respiratory syndrome coronavirus (SARS-CoV) and Alzheimer’s disease |
A. S. Sriranjini, Ashish Thapliyal, Kumud Pant |
4 |
[GO] |
2024―Feb―27 |
Steroidal lactones from Withania somnifera effectively target Beta, Gamma, Delta and Omicron variants of SARS-CoV-2 and reveal a decreased susceptibility to viral infection and perpetuation: a polypharmacology approach |
Aditi Srivastava, Rumana Ahmad, Irshad A. Wani, Sahabjada Siddiqui, Kusum Yadav, Anchal Trivedi, et al. (+4) Shivbrat Upadhyay, Ishrat Husain, Tanveer Ahamad, Shivanand S. Dudhagi |
5 |
[GO] |
2023―Dec―02 |
Design and study of bioisosteric analogues of the drug Molnupiravir as potential therapeutics against SARS-COV-2: an in silico approach |
Donia Ghedira, Abderrazak Aziz El Harran, Houyem Abderrazak |
6 |
[GO] |
2023―Jul―27 |
Development of conserved multi-epitopes based hybrid vaccine against SARS-CoV-2 variants: an immunoinformatic approach |
Allah Rakha Yaseen, Muhammad Suleman, Abdul Salam Qadri, Ali Asghar, Iram Arshad, Daulat Munaza Khan |
7 |
[GO] |
2023―Apr―28 |
Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach |
Arkajit De, Somdatta Bhattacharya, Bishal Debroy, Arijit Bhattacharya, Kuntal Pal |
8 |
[GO] |
2022―Jul―26 |
Identification of vaccine candidate against Omicron variant of SARS-CoV-2 using immunoinformatic approaches |
Ruchika Sharma, C. R. Patil, Anoop Kumar, Kalicharan Sharma |
9 |
[GO] |
2022―Mar―14 |
Inhibitory effects of selected isoquinoline alkaloids against main protease (Mpro) of SARS-CoV-2, in silico study |
Morteza Sadeghi, Mehran Miroliaei |
10 |
[GO] |
2021―Aug―07 |
Identification of lead compounds from large natural product library targeting 3C-like protease of SARS-CoV-2 using E-pharmacophore modelling, QSAR and molecular dynamics simulation |
Olusola Olalekan Elekofehinti, Opeyemi Iwaloye, Olorunfemi R. Molehin, Courage D. Famusiwa |
11 |
[GO] |
2021―Jul―27 |
In-silico study of peptide-protein interaction of antimicrobial peptides potentially targeting SARS and SARS-CoV-2 nucleocapsid protein |
Ritu Bansal, Sanika Mohagaonkar, Anamitra Sen, Uzma Khanam, Bhawna Rathi |
12 |
[GO] |
2021―Jul―22 |
In silico studies of Potency and safety assessment of selected trial drugs for the treatment of COVID-19 |
Peter Ifeoluwa Adegbola, Olumide Samuel Fadahunsi, Aanuoluwa Eunice Adegbola, Banjo Semire |
13 |
[GO] |
2021―Jul―19 |
Computational assessment of select antiviral phytochemicals as potential SARS-Cov-2 main protease inhibitors: molecular dynamics guided ensemble docking and extended molecular dynamics |
Sanjay Sawant, Rajesh Patil, Manoj Khawate, Vishal Zambre, Vaibhav Shilimkar, Suresh Jagtap |
14 |
[GO] |
2021―Jul―01 |
In silico analysis of echinocandins binding to the main proteases of coronaviruses PEDV (3CLpro) and SARS-CoV-2 (Mpro) |
Gérard Vergoten, Christian Bailly |
15 |
[GO] |
2021―Jun―28 |
Prediction and identification of T cell epitopes of COVID-19 with balanced cytokine response for the development of peptide based vaccines |
Parul Bhatt, Monika Sharma, Sadhna Sharma |
16 |
[GO] |
2021―Apr―04 |
Computational screening of FDA approved drugs of fungal origin that may interfere with SARS-CoV-2 spike protein activation, viral RNA replication, and post-translational modification: a multiple target approach |
Rajveer Singh, Anupam Gautam, Shivani Chandel, Vipul Sharma, Arijit Ghosh, Dhritiman Dey, et al. (+3) Syamal Roy, V. Ravichandiran, Dipanjan Ghosh |
17 |
[GO] |
2021―Apr―04 |
In search of drugs to alleviate suppression of the host's innate immune responses against SARS-CoV-2 using a molecular modeling approach |
Shuvasish Choudhury, Debojyoti Moulick, Anupom Borah, Purbajyoti Saikia, Muhammed Khairujjaman Mazumder |
18 |
[GO] |
2021―Jan―06 |
Evaluation of certain medicinal plants compounds as new potential inhibitors of novel corona virus (COVID-19) using molecular docking analysis |
Ayat Ahmed Alrasheid, Mazin Yousif Babiker, Talal Ahmed Awad |
19 |
[GO] |
2021―Jan―06 |
In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (Mpro) |
Victoria Adeola Falade, Temitope Isaac Adelusi, Ibrahim Olaide Adedotun, Misbaudeen Abdul-Hammed, Teslim Alabi Lawal, Saheed Alabi Agboluaje |
20 |
[GO] |
2021―Jan―06 |
Designing a conserved peptide-based subunit vaccine against SARS-CoV-2 using immunoinformatics approach |
Elijah Kolawole Oladipo, Ayodeji Folorunsho Ajayi, Olugbenga Samson Onile, Olumuyiwa Elijah Ariyo, Esther Moradeyo Jimah, Louis Odinakaose Ezediuno, et al. (+10) Oluwadunsin Iyanuoluwa Adebayo, Emmanuel Tayo Adebayo, Aduragbemi Noah Odeyemi, Marvellous Oluwaseun Oyeleke, Moyosoluwa Precious Oyewole, Ayomide Samuel Oguntomi, Olawumi Elizabeth Akindiya, Victoria Oyetayo Aremu, Dorcas Olubunmi Aboderin, Julius Kola Oloke |
21 |
[GO] |
2020―Dec―04 |
Are losartan and imatinib effective against SARS-CoV2 pathogenesis? A pathophysiologic-based in silico study |
Reza Nejat, Ahmad Shahir Sadr |
22 |
[GO] |
2020―Nov―09 |
Peptide modelling and screening against human ACE2 and spike glycoprotein RBD of SARS-CoV-2 |
Shravan B. Rathod, Pravin B. Prajapati, Lata B. Punjabi, Kuntal N. Prajapati, Neha Chauhan, Mohmedyasin F. Mansuri |