http://orcid.org/0000-0002-4821-1654
Citations (36)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (14)
Tamizh Selvan G, Avinash Karkada Ashok, Aditya Rao S. J, Pavan Gollapalli, Vishakh R, Suchetha Kumari N & Nabo K. Chaudhury. (2023) Nrf2-regulated antioxidant response ameliorating ionizing radiation-induced damages explored through in vitro and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 41:17, pages 8472-8484.
Read now
Read now
C. Inchara Moodbagil, Riaz Mahmood, H.M. Kumaraswamy, Vivek Chandramohan, Manjunath Dammalli, R. Sharath, P. Meghana, R. Sandeep Kumar Jain, N. Prashanth & J.R. Samartha. (2023) Identification of potential inhibitors of ATM kinase: pharmacoinformatics and molecular dynamics simulation approach. Molecular Simulation 49:5, pages 472-480.
Read now
Read now
Shristi Modanwal & Nidhi Mishra. (2023) Identification of common genes in obesity and cancer through network interaction and targeting those genes by virtual screening approach. Journal of Biomolecular Structure and Dynamics 41:3, pages 1109-1127.
Read now
Read now
Rajat Nandi, Deep Bhowmik, Rakesh Srivastava, Amresh Prakash & Diwakar Kumar. (2022) Discovering potential inhibitors against SARS-CoV-2 by targeting Nsp13 Helicase. Journal of Biomolecular Structure and Dynamics 40:22, pages 12062-12074.
Read now
Read now
Fernanda D. Botelho, Marcelo C. Santos, Arlan S. Gonçalves, Tanos C. C. França, Steven R. LaPlante & Joyce S. F. D. de Almeida. (2022) Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach. Journal of Biomolecular Structure and Dynamics 40:12, pages 5309-5319.
Read now
Read now
Sankar Muthumanickam, Thangamariyappan Indhumathi, Pandi Boomi, Ramachandran Balajee, Jeyaraman Jeyakanthan, Krishnan Anand, Sundaram Ravikumar, Ponnuchamy Kumar, Arumugam Sudha & Zhihui Jiang. (2022) In silico approach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer. Journal of Biomolecular Structure and Dynamics 40:4, pages 1629-1638.
Read now
Read now
Preeti Pandey, Jitendra Subhash Rane, Aroni Chatterjee, Abhijeet Kumar, Rajni Khan, Amresh Prakash & Shashikant Ray. (2021) Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development. Journal of Biomolecular Structure and Dynamics 39:16, pages 6306-6316.
Read now
Read now
Jitendra Subhash Rane, Preeti Pandey, Aroni Chatterjee, Rajni Khan, Abhijeet Kumar, Amresh Prakash & Shashikant Ray. (2021) Targeting virus–host interaction by novel pyrimidine derivative: an in silico approach towards discovery of potential drug against COVID-19. Journal of Biomolecular Structure and Dynamics 39:15, pages 5768-5778.
Read now
Read now
Hriday Kumar Basak, Uttam Paswan, Joydeep Ghosh, Soumen Saha & Abhik Chatterjee. (2021) In silico Evaluation of Savirin Derivatives As Inhibitors of the agr Quorum Sensing System of Staphylococcus aureus. Analytical Chemistry Letters 11:5, pages 661-683.
Read now
Read now
Monika Jain, Jayaraman Muthukumaran & Amit Kumar Singh. (2021) Structural and functional characterization of chitin binding lectin from Datura stramonium: insights from phylogenetic analysis, protein structure prediction, molecular docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 39:5, pages 1698-1716.
Read now
Read now
Sunita Gupta & Vibha Gupta. (2021) Homology modeling, structural insights and in-silico screening for selective inhibitors of mycobacterial CysE. Journal of Biomolecular Structure and Dynamics 39:5, pages 1547-1560.
Read now
Read now
Gizachew Muluneh Amera, Rameez Jabeer Khan, Amita Pathak, Rajat Kumar Jha, Jayaraman Muthukumaran & Amit Kumar Singh. (2020) Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 38:17, pages 5230-5252.
Read now
Read now
Ravichellam Sangavi, Sankar Muthumanickam, Nambiraman Malligarjunan, Ravi Jothi, Pandi Boomi, Seenichamy Arivudainambi, Muthusamy Raman, Chaitanya G. Joshi, Shunmugiah Karutha Pandian & Shanmugaraj Gowrishankar. In silico analysis unravels the promising anticariogenic efficacy of fatty acids against dental caries causing Streptococcus mutans. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
Read now
Read now
Arunika Krishnan, Faez Iqbal Khan, Sudarkodi Sukumar & Md. Khurshid Alam Khan. Identification of potential molecular targets and repurposed drugs for tuberculosis using network-based screening approach, molecular docking, and simulation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
Read now
Read now
Articles from other publishers (22)
Shopnil Akash, Imren Bayıl, Sajjat Mahmood, Nobendu Mukerjee, Tamanna Akter Mili, Kuldeep Dhama, Md Anisur Rahman, Swastika Maitra, Mohamed Mohany, Salim S. Al-Rejaie, Nemat Ali, Prabhakar Semwal & Rohit Sharma. (2023) Mechanistic inhibition of gastric cancer-associated bacteria Helicobacter pylori by selected phytocompounds: A new cutting-edge computational approach. Heliyon 9:10, pages e20670.
Crossref
Crossref
Maria Célia Tavares, Igor José dos Santos Nascimento, Thiago Mendonça de Aquino, Tiago de Oliveira Brito, Fernando MacedoJrJr, Luzia Valentina Modolo, Ângelo de Fátima & Josué Carinhanha C. Santos. (2023) The influence of N-alkyl chains in benzoyl-thiourea derivatives on urease inhibition: Soil studies and biophysical and theoretical investigations on the mechanism of interaction. Biophysical Chemistry 299, pages 107042.
Crossref
Crossref
Pavan Gollapalli, Aditya S.J. Rao, Hanumanthappa Manjunatha, Gnanasekaran Tamizh Selvan, Praveenkumar Shetty & Nalilu Suchetha Kumari. (2023) Systems Pharmacology and Pharmacokinetics Strategy to Decode Bioactive
Ingredients and Molecular Mechanisms from Zingiber officinale as
Phyto-therapeutics against Neurological Diseases. Current Drug Discovery Technologies 20:1.
Crossref
Crossref
Ruhar Singh, Abhijeet Kumar, Jitendra Subhash Rane, Rajni Khan, Garima Tripathi, Amrendra K. Ajay, Amresh Prakash & Shashikant Ray. (2022) Arylcoumarin perturbs SARS-CoV-2 pathogenesis by targeting the S-protein/ACE2 interaction. Scientific Reports 12:1.
Crossref
Crossref
Leila Hokmabady & Najmeh Fani. (2022) In silico elucidation of the interactions of thymoquinone analogues with phosphatase and tensin homolog (PTEN). Journal of Molecular Modeling 28:10.
Crossref
Crossref
Clement K. M. Tsui, Flavia Sorrentino, Gagandeep Narula, Alfonso Mendoza-Losana, Ruben Gonzalez del Rio, Esther Pérez Herrán, Abraham Lopez, Adama Bojang, Xingji Zheng, Modesto Jesus Remuiñán-Blanco & Yossef Av-Gay. (2022) Hit Compounds and Associated Targets in Intracellular Mycobacterium tuberculosis. Molecules 27:14, pages 4446.
Crossref
Crossref
Igor José dos Santos Nascimento, Thiago Mendonça de Aquino & Edeildo Ferreira da Silva-Júnior. (2022)
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL
pro
: A
Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA
Calculations and Covalent Docking
. Letters in Drug Design & Discovery 19:7, pages 637-653.
Crossref
Crossref
Niranjan Kumar, Rakesh Srivastava, Raj Kumar Mongre, Chandra Bhushan Mishra, Amit Kumar, Rosy Khatoon, Atanu Banerjee, Md Ashraf-Uz-Zaman, Harpreet Singh, Andrew M. Lynn, Myeong-Sok Lee & Amresh Prakash. (2022) Identifying the Novel Inhibitors Against the Mycolic Acid Biosynthesis Pathway Target “mtFabH” of Mycobacterium tuberculosis. Frontiers in Microbiology 13.
Crossref
Crossref
Siba Shanak, Najlaa Bassalat, Ahmad Barghash, Sleman Kadan, Mahmoud Ardah & Hilal Zaid. (2022) Drug Discovery of Plausible Lead Natural Compounds That Target the Insulin Signaling Pathway: Bioinformatics Approaches. Evidence-Based Complementary and Alternative Medicine 2022, pages 1-42.
Crossref
Crossref
Summaya Perveen & Rashmi Sharma. (2022) Screening approaches and therapeutic targets: The two driving wheels of tuberculosis drug discovery. Biochemical Pharmacology 197, pages 114906.
Crossref
Crossref
Anshul Shakya, Rupesh V. Chikhale, Hans Raj Bhat, Fatmah Ali Alasmary, Tahani Mazyad Almutairi, Surajit Kumar Ghosh, Hassna Mohammed Alhajri, Siham A. Alissa, Shuchi Nagar & Md Ataul Islam. (2021) Pharmacoinformatics-based identification of transmembrane protease serine-2 inhibitors from Morus Alba as SARS-CoV-2 cell entry inhibitors. Molecular Diversity 26:1, pages 265-278.
Crossref
Crossref
Vishma Pratap Sur, Aninda Mazumdar, Vladimir Vimberg, Tommaso Stefani, Ladislav Androvic, Lucie Kracikova, Richard Laga, Zdenek Kamenik & Katerina Komrskova. (2021) Specific Inhibition of VanZ-Mediated Resistance to Lipoglycopeptide Antibiotics. International Journal of Molecular Sciences 23:1, pages 97.
Crossref
Crossref
Murtala A. Ejalonibu, Segun A. Ogundare, Ahmed A. Elrashedy, Morufat A. Ejalonibu, Monsurat M. Lawal, Ndumiso N. Mhlongo & Hezekiel M. Kumalo. (2021) Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach. International Journal of Molecular Sciences 22:24, pages 13259.
Crossref
Crossref
Vishma Pratap Sur, Madhab Kumar Sen & Katerina Komrskova. (2021) In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main Protease. Molecules 26:20, pages 6199.
Crossref
Crossref
Conrad A Fihn & Erin E Carlson. (2021) Targeting a highly conserved domain in bacterial histidine kinases to generate inhibitors with broad spectrum activity. Current Opinion in Microbiology 61, pages 107-114.
Crossref
Crossref
Mohammad Aatif, Ghazala Muteeb, Abdulrahman Alsultan, Adil Alshoaibi & Bachir Yahia Khelif. (2021) Dieckol and Its Derivatives as Potential Inhibitors of SARS-CoV-2 Spike Protein (UK Strain: VUI 202012/01): A Computational Study. Marine Drugs 19:5, pages 242.
Crossref
Crossref
Satabdi Saha, Rajat Nandi, Poonam Vishwakarma, Amresh Prakash & Diwakar Kumar. (2021) Discovering Potential RNA Dependent RNA Polymerase Inhibitors as Prospective Drugs Against COVID-19: An in silico Approach. Frontiers in Pharmacology 12.
Crossref
Crossref
Alexander D.H. Kingdon & Luke J. Alderwick. (2021) Structure-based in silico approaches for drug discovery against Mycobacterium tuberculosis. Computational and Structural Biotechnology Journal 19, pages 3708-3719.
Crossref
Crossref
Ghazala Muteeb, Adil Alshoaibi, Mohammad Aatif, Md. Tabish Rehman & M. Zuhaib Qayyum. (2020) Screening marine algae metabolites as high-affinity inhibitors of SARS-CoV-2 main protease (3CLpro): an in silico analysis to identify novel drug candidates to combat COVID-19 pandemic. Applied Biological Chemistry 63:1.
Crossref
Crossref
Preeti Pandey, Kartikay Prasad, Amresh Prakash & Vijay Kumar. (2020) Insights into the biased activity of dextromethorphan and haloperidol towards SARS-CoV-2 NSP6: in silico binding mechanistic analysis. Journal of Molecular Medicine 98:12, pages 1659-1673.
Crossref
Crossref
Huiwen Wang, Linlu Song, Ting Zhou, Chen Zeng, Ya Jia & Yunjie Zhao. (2020) A computational study of Tat–CDK9–Cyclin binding dynamics and its implication in transcription-dependent HIV latency. Physical Chemistry Chemical Physics 22:44, pages 25474-25482.
Crossref
Crossref
Eduardo H. S. Sousa, Izaura C. N. Diógenes, Luiz G. F. Lopes & José J. G. Moura. (2020) Potential therapeutic approaches for a sleeping pathogen: tuberculosis a case for bioinorganic chemistry. JBIC Journal of Biological Inorganic Chemistry 25:5, pages 685-704.
Crossref
Crossref