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Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids of Torreya nucifera leaves.
Rajesh Ghosh, Ayon Chakraborty, Ashis Biswas, Snehasis Chowdhuri. J Biomol Struct Dyn 2022
Times Cited: 12






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List of co-cited articles
97 articles co-cited >1



Times Cited
  Times     Co-cited
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Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors.
Linlin Zhang, Daizong Lin, Xinyuanyuan Sun, Ute Curth, Christian Drosten, Lucie Sauerhering, Stephan Becker, Katharina Rox, Rolf Hilgenfeld. Science 2020
1437
5
41

Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors.
Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma, Vidya Rajendran, Rituraj Purohit, Sanjay Kumar. J Biomol Struct Dyn 2021
156
4
33

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations.
I Aanouz, A Belhassan, K El-Khatabi, T Lakhlifi, M El-Ldrissi, M Bouachrine. J Biomol Struct Dyn 2021
152
4
33

Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an in silico docking and molecular dynamics simulation study.
Rajesh Ghosh, Ayon Chakraborty, Ashis Biswas, Snehasis Chowdhuri. J Biomol Struct Dyn 2021
107
4
33

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors.
Zhenming Jin, Xiaoyu Du, Yechun Xu, Yongqiang Deng, Meiqin Liu, Yao Zhao, Bing Zhang, Xiaofeng Li, Leike Zhang, Chao Peng,[...]. Nature 2020
1649
4
33

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19.
Ananta Swargiary, Shafi Mahmud, Md Abu Saleh. J Biomol Struct Dyn 2022
34
3
25

Biflavonoids from Torreya nucifera displaying SARS-CoV 3CL(pro) inhibition.
Young Bae Ryu, Hyung Jae Jeong, Jang Hoon Kim, Young Min Kim, Ji-Young Park, Doman Kim, Thi Thanh Hanh Nguyen, Su-Jin Park, Jong Sun Chang, Ki Hun Park,[...]. Bioorg Med Chem 2010
258
3
25

Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approach.
Kiran Lokhande, Neelu Nawani, Swamy K Venkateswara, Sarika Pawar. J Biomol Struct Dyn 2022
11
3
27

Computational investigation on Andrographis paniculata phytochemicals to evaluate their potency against SARS-CoV-2 in comparison to known antiviral compounds in drug trials.
Natarajan Arul Murugan, Chitra Jeyaraj Pandian, Jeyaraman Jeyakanthan. J Biomol Struct Dyn 2021
36
3
25

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.
Garrett M Morris, Ruth Huey, William Lindstrom, Michel F Sanner, Richard K Belew, David S Goodsell, Arthur J Olson. J Comput Chem 2009
9334
3
25

Scutellaria baicalensis extract and baicalein inhibit replication of SARS-CoV-2 and its 3C-like protease in vitro.
Hongbo Liu, Fei Ye, Qi Sun, Hao Liang, Chunmei Li, Siyang Li, Roujian Lu, Baoying Huang, Wenjie Tan, Luhua Lai. J Enzyme Inhib Med Chem 2021
64
3
25

Evaluation of medicinal herbs as a potential therapeutic option against SARS-CoV-2 targeting its main protease.
Saurabh Upadhyay, Praveen K Tripathi, Manju Singh, Siva Raghavendhar, Mohit Bhardwaj, Ashok K Patel. Phytother Res 2020
21
3
25

Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 Mpro enzyme through in silico approach.
Arun Bahadur Gurung, Mohammad Ajmal Ali, Joongku Lee, Mohammad Abul Farah, Khalid Mashay Al-Anazi. Life Sci 2020
66
3
25

Role of Molecular Dynamics and Related Methods in Drug Discovery.
Marco De Vivo, Matteo Masetti, Giovanni Bottegoni, Andrea Cavalli. J Med Chem 2016
397
3
25

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study.
Davide Gentile, Vincenzo Patamia, Angela Scala, Maria Teresa Sciortino, Anna Piperno, Antonio Rescifina. Mar Drugs 2020
152
3
25

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods.
Canrong Wu, Yang Liu, Yueying Yang, Peng Zhang, Wu Zhong, Yali Wang, Qiqi Wang, Yang Xu, Mingxue Li, Xingzhou Li,[...]. Acta Pharm Sin B 2020
1021
3
25

Identification of polyphenols from Broussonetia papyrifera as SARS CoV-2 main protease inhibitors using in silico docking and molecular dynamics simulation approaches.
Rajesh Ghosh, Ayon Chakraborty, Ashis Biswas, Snehasis Chowdhuri. J Biomol Struct Dyn 2021
32
3
25

Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Hai-Xia Su, Sheng Yao, Wen-Feng Zhao, Min-Jun Li, Jia Liu, Wei-Juan Shang, Hang Xie, Chang-Qiang Ke, Hang-Chen Hu, Mei-Na Gao,[...]. Acta Pharmacol Sin 2020
161
3
25

A pneumonia outbreak associated with a new coronavirus of probable bat origin.
Peng Zhou, Xing-Lou Yang, Xian-Guang Wang, Ben Hu, Lei Zhang, Wei Zhang, Hao-Rui Si, Yan Zhu, Bei Li, Chao-Lin Huang,[...]. Nature 2020
10036
3
25

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.
James A Maier, Carmenza Martinez, Koushik Kasavajhala, Lauren Wickstrom, Kevin E Hauser, Carlos Simmerling. J Chem Theory Comput 2015
3945
2
16

Computational methods in drug discovery.
Gregory Sliwoski, Sandeepkumar Kothiwale, Jens Meiler, Edward W Lowe. Pharmacol Rev 2013
673
2
16

Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL pro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates.
Yu Wai Chen, Chin-Pang Bennu Yiu, Kwok-Yin Wong. F1000Res 2020
256
2
16

In silico studies evidenced the role of structurally diverse plant secondary metabolites in reducing SARS-CoV-2 pathogenesis.
Hariprasad Puttaswamy, Hittanahallikoppal Gajendramurthy Gowtham, Monu Dinesh Ojha, Ajay Yadav, Gourav Choudhir, Vasantharaja Raguraman, Bhani Kongkham, Koushalya Selvaraju, Shazia Shareef, Priyanka Gehlot,[...]. Sci Rep 2020
26
2
16

A review on drug repurposing applicable to COVID-19.
Serena Dotolo, Anna Marabotti, Angelo Facchiano, Roberto Tagliaferri. Brief Bioinform 2021
57
2
16

Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (mpro): a molecular docking, molecular dynamics and structure-activity relationship studies.
Vishnu Nayak Badavath, Akhil Kumar, Pralok K Samanta, Siddhartha Maji, Anik Das, Galia Blum, Anjali Jha, Anik Sen. J Biomol Struct Dyn 2022
17
2
16

Amentoflavone and its derivatives as novel natural inhibitors of human Cathepsin B.
Xulin Pan, Ninghua Tan, Guangzhi Zeng, Yumei Zhang, Ruirui Jia. Bioorg Med Chem 2005
31
2
16

Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study.
Marimuthu Ragavan Rameshkumar, Purushothaman Indu, Narasingam Arunagirinathan, Babu Venkatadri, Hamed A El-Serehy, Ajaz Ahmad. Saudi J Biol Sci 2021
19
2
16

Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors.
Alicia Jiménez-Alberto, Rosa María Ribas-Aparicio, Gerardo Aparicio-Ozores, Juan A Castelán-Vega. Comput Biol Chem 2020
43
2
16

Inhibitory effects of polyphenols on human cytochrome P450 3A4 and 2C9 activity.
Yuka Kimura, Hideyuki Ito, Ryoko Ohnishi, Tsutomu Hatano. Food Chem Toxicol 2010
137
2
16

Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds.
Konda Mani Saravanan, Haiping Zhang, Renganathan Senthil, Kevin Kumar Vijayakumar, Vignesh Sounderrajan, Yanjie Wei, Harshavardhan Shakila. J Biomol Struct Dyn 2022
7
2
28

PubChem 2019 update: improved access to chemical data.
Sunghwan Kim, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, Benjamin A Shoemaker, Paul A Thiessen, Bo Yu,[...]. Nucleic Acids Res 2019
1095
2
16

Development and testing of a general amber force field.
Junmei Wang, Romain M Wolf, James W Caldwell, Peter A Kollman, David A Case. J Comput Chem 2004
8562
2
16

In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins.
Irene Maffucci, Alessandro Contini. J Proteome Res 2020
29
2
16

The SARS-CoV-2 main protease as drug target.
Sven Ullrich, Christoph Nitsche. Bioorg Med Chem Lett 2020
239
2
16

In Silico Screening of Potential Spike Glycoprotein Inhibitors of SARS-CoV-2 with Drug Repurposing Strategy.
Tian-Zi Wei, Hao Wang, Xue-Qing Wu, Yi Lu, Sheng-Hui Guan, Feng-Quan Dong, Chen-le Dong, Gu-Li Zhu, Yu-Zhou Bao, Jian Zhang,[...]. Chin J Integr Med 2020
32
2
16

Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design.
Maria Bzówka, Karolina Mitusińska, Agata Raczyńska, Aleksandra Samol, Jack A Tuszyński, Artur Góra. Int J Mol Sci 2020
90
2
16

First clinical study using HCV protease inhibitor danoprevir to treat COVID-19 patients.
Hongyi Chen, Zhicheng Zhang, Li Wang, Zhihua Huang, Fanghua Gong, Xiaodong Li, Yahong Chen, Jinzi J Wu. Medicine (Baltimore) 2020
27
2
16

Open Babel: An open chemical toolbox.
Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison. J Cheminform 2011
3170
2
16

AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading.
Oleg Trott, Arthur J Olson. J Comput Chem 2010
11273
2
16

Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs.
Vijay Kumar Bhardwaj, Rahul Singh, Pralay Das, Rituraj Purohit. Comput Biol Med 2021
59
2
16

The Protein Data Bank.
H M Berman, J Westbrook, Z Feng, G Gilliland, T N Bhat, H Weissig, I N Shindyalov, P E Bourne. Nucleic Acids Res 2000
21476
2
16

Computational and network pharmacology analysis of bioflavonoids as possible natural antiviral compounds in COVID-19.
Rajesh Patil, Rupesh Chikhale, Pukar Khanal, Nilambari Gurav, Muniappan Ayyanar, Saurabh Sinha, Satyendra Prasad, Yadu Nandan Dey, Manish Wanjari, Shailendra S Gurav. Inform Med Unlocked 2021
18
2
16

A Review on the Phytochemistry, Pharmacology, and Pharmacokinetics of Amentoflavone, a Naturally-Occurring Biflavonoid.
Sheng Yu, Hui Yan, Li Zhang, Mingqiu Shan, Peidong Chen, Anwei Ding, Sam Fong Yau Li. Molecules 2017
70
2
16

Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation.
Pallab Kar, Neeta Raj Sharma, Bhupender Singh, Arnab Sen, Ayan Roy. J Biomol Struct Dyn 2021
23
2
16

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study.
Sourav Das, Sharat Sarmah, Sona Lyndem, Atanu Singha Roy. J Biomol Struct Dyn 2021
188
2
16

In-Silico approach for identification of effective and stable inhibitors for COVID-19 main protease (Mpro) from flavonoid based phytochemical constituents of Calendula officinalis.
Pratik Das, Ranabir Majumder, Mahitosh Mandal, Piyali Basak. J Biomol Struct Dyn 2021
36
2
16

Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants - Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) - a molecular docking study.
Priya Shree, Priyanka Mishra, Chandrabose Selvaraj, Sanjeev Kumar Singh, Radha Chaube, Neha Garg, Yamini Bhusan Tripathi. J Biomol Struct Dyn 2022
62
2
16

Anisotine and amarogentin as promising inhibitory candidates against SARS-CoV-2 proteins: a computational investigation.
Pallab Kar, Vijay Kumar, Balachandar Vellingiri, Arnab Sen, Nishika Jaishee, Akash Anandraj, Himani Malhotra, Subires Bhattacharyya, Subhasish Mukhopadhyay, Masako Kinoshita,[...]. J Biomol Struct Dyn 2022
17
2
16

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules.
Antoine Daina, Olivier Michielin, Vincent Zoete. Sci Rep 2017
2449
2
16

Anti-COVID-19 terpenoid from marine sources: A docking, admet and molecular dynamics study.
Nayim Sepay, Aishwarya Sekar, Umesh C Halder, Abdullah Alarifi, Mohd Afzal. J Mol Struct 2021
19
2
16


Co-cited is the co-citation frequency, indicating how many articles cite the article together with the query article. Similarity is the co-citation as percentage of the times cited of the query article or the article in the search results, whichever is the lowest. These numbers are calculated for the last 100 citations when articles are cited more than 100 times.

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