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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 2
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Research Articles

Targeting metacaspase-3 from Plasmodium falciparum towards antimalarial therapy: A combined approach of in-silico and in-vitro investigation

Bhumika KumarDepartment of Bioscience, Jamia Millia Islamia, New Delhi, India; ;Protein Biochemistry and Engineering Lab, ICMR-National Institute of Malaria Research, Indian Council of Medical Research, Dwarka, New Delhi, India;
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Taj MohammadCentre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India; ORCID Iconhttp://orcid.org/0000-0002-0399-4835
ORCID Icon,
AmaduddinDepartment of Bioscience, Jamia Millia Islamia, New Delhi, India; ;Special Centre for Molecular Medicine, Jawaharlal Nehru University, New Delhi, India;
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Afzal HussainDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Kingdom of Saudi Arabia
,
Asimul IslamCentre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India;
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Faizan AhmadCentre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India;
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Mohamed F. AlajmiDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Kingdom of Saudi Arabia
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Shailja SinghSpecial Centre for Molecular Medicine, Jawaharlal Nehru University, New Delhi, India;
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Kailash C. PandeyProtein Biochemistry and Engineering Lab, ICMR-National Institute of Malaria Research, Indian Council of Medical Research, Dwarka, New Delhi, India;
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Md. Imtaiyaz HassanCentre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India; Correspondence[email protected]
ORCID Iconhttp://orcid.org/0000-0002-3663-4940
ORCID Icon &
Mohammad AbidDepartment of Bioscience, Jamia Millia Islamia, New Delhi, India; Correspondence[email protected]
ORCID Iconhttp://orcid.org/0000-0002-0507-8451
ORCID Icon show all
Pages 421-430 | Received 14 Nov 2019, Accepted 24 Dec 2019, Published online: 13 Jan 2020

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Elyasa Mustafa Elfaki, Hassan H. Alhassan, Mehnaz Kamal, Maher M. Al-Enazi, Malik Abdul Rub, Abdullah M. Asiri, Maroof Ali, Hadi M. Marwani, Salem Hussain Alharethi, Maha Moteb Alotaibi & Naved Azum. (2023) Identifying bioactive phytoconstituents as C-terminal Src kinase inhibitors: a virtual screening and molecular simulation approach. Journal of Biomolecular Structure and Dynamics 41:22, pages 13415-13424.
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Akhtar Atiya, Shivani Batra, Taj Mohammad, Nasser M. Alorfi, Waleed Al Abdulmonem, Fahad A. Alhumaydhi, Ghulam Md Ashraf, Saleh S. Baeesa, Abdelbaset Mohamed Elasbali & Moyad Shahwan. (2023) Desmodin and isopongachromene as potential inhibitors of cyclin-dependent kinase 5: phytoconstituents targeting anticancer and neurological therapy. Journal of Biomolecular Structure and Dynamics 41:16, pages 8042-8052.
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Tanmayee Basu & Atul Kumar Upadhyay. (2023) In silico study of novel alpha tocopheroids as effective inhibitors of aldo-keto reductase 1c3 (AKR1C3) enzyme. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Articles from other publishers (3)

Mohd Adnan, Anas Shamsi, Abdelbaset Elasbali, Arif Siddiqui, Mitesh Patel, Nawaf Alshammari, Salem Alharethi, Hassan Alhassan, Fevzi Bardakci & Md. Hassan. (2022) Structure-Guided Approach to Discover Tuberosin as a Potent Activator of Pyruvate Kinase M2, Targeting Cancer Therapy. International Journal of Molecular Sciences 23:21, pages 13172.
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Amad Uddin, Sonal Gupta, Taj Mohammad, Diksha Shahi, Afzal Hussain, Mohamed F. Alajmi, Hesham R. El-Seedi, Imtaiyaz Hassan, Shailja Singh & Mohammad Abid. (2022) Target-Based Virtual Screening of Natural Compounds Identifies a Potent Antimalarial With Selective Falcipain-2 Inhibitory Activity. Frontiers in Pharmacology 13.
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Hugo Amorim dos Santos de Souza, Victor Fernandes Escafa, Carolina Moreira Blanco, Bárbara de Oliveira Baptista, Jenifer Peixoto de Barros, Evelyn Ketty Pratt Riccio, Aline Beatriz Mello Rodrigues, Gisely Cardoso de Melo, Marcus Vinícius Guimarães de Lacerda, Rodrigo Medeiros de Souza, Josué da Costa Lima-Junior, Ana Carolina Ramos Guimarães, Fabio Faria da Mota, João Hermínio Martins da Silva, Cláudio Tadeu Daniel-Ribeiro, Lilian Rose Pratt-Riccio & Paulo Renato Rivas Totino. (2021) Plasmodium vivax metacaspase 1 (PvMCA1) catalytic domain is conserved in field isolates from Brazilian Amazon. Memórias do Instituto Oswaldo Cruz 116.
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