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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 22
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Research Articles

Myxobacterial depsipeptide chondramides interrupt SARS-CoV-2 entry by targeting its broad, cell tropic spike protein

Rey Arturo Fernandeza Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, Philippines
,
Mark Tristan Quimquea Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, Philippines;b The Graduate School, University of Santo Tomas, Manila, Philippines;;c Chemistry Department, College of Science and Mathematics, Mindanao State University – Iligan Institute of Technology, Tibanga, Iligan City, PhilippinesORCID Iconhttps://orcid.org/0000-0003-0269-5590
ORCID Icon,
Kin Israel Notarted Faculty of Medicine and Surgery, University of Santo Tomas, Manila, Philippines
,
Joe Anthony Manzanoa Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, Philippines;e Department of Biological Sciences, College of Science, University of Santo Tomas, Manila, Philippines
,
Delfin Yñigo Pilapil IVa Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, Philippines;e Department of Biological Sciences, College of Science, University of Santo Tomas, Manila, Philippines
,
Von Novi de Leona Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, Philippines;e Department of Biological Sciences, College of Science, University of Santo Tomas, Manila, Philippines
,
John Jeric San Josea Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, Philippines
,
Omar Villalobosf Department of Pharmacy, Faculty of Pharmacy, University of Santo Tomas, Manila, Philippines
,
Nisha Harur Muralidharang Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology (IIT) Madras, Chennai, Tamil Nadu, India
,
M. Michael Gromihag Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology (IIT) Madras, Chennai, Tamil Nadu, India
,
Simone Brogih Department of Pharmacy, University of Pisa, Pisa, Italy
&
Allan Patrick G. Macabeoa Laboratory for Organic Reactivity, Discovery and Synthesis (LORDS), Research Center for the Natural and Applied Sciences, University of Santo Tomas, Manila, PhilippinesCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-7972-106X
ORCID Icon show all
Pages 12209-12220 | Received 27 Apr 2021, Accepted 12 Aug 2021, Published online: 31 Aug 2021

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Elakkiya Elumalai & M. Suresh Kumar. (2023) Identification of neo-andrographolide compound targeting NS1 Lys14: an important residue in NS1 activity driving dengue pathogenesis. Journal of Biomolecular Structure and Dynamics 41:10, pages 4504-4514.
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Shahkaar Aziz, Muhammad Waqas, Tapan Kumar Mohanta, Sobia Ahsan Halim, Aqib Iqbal, Amjad Ali, Asaad Khalid, Ashraf N. Abdalla, Ajmal Khan & Ahmed Al-Harrasi. (2023) Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and molecular dynamics simulation. Journal of Infection and Public Health 16:4, pages 501-519.
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Kin Israel R. Notarte, Mark Tristan J. Quimque, Imee T. Macaranas, Abbas Khan, Adriel M. Pastrana, Oliver B. Villaflores, Hans Christian P. Arturo, Delfin Yñigo H. Pilapil IV, Sophia Morgan M. Tan, Dong-Qing Wei, Arlette Wenzel-Storjohann, Deniz Tasdemir, Chia-Hung Yen, Seon Yeong Ji, Gi-Young Kim, Yung Hyun Choi & Allan Patrick G. Macabeo. (2023) Attenuation of Lipopolysaccharide-Induced Inflammatory Responses through Inhibition of the NF-κB Pathway and the Increased NRF2 Level by a Flavonol-Enriched n -Butanol Fraction from Uvaria alba . ACS Omega 8:6, pages 5377-5392.
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Omkar Indari, Ajit Kumar Singh, Deeksha Tiwari, Hem Chandra Jha & Anupam Nath Jha. (2022) Deciphering antiviral efficacy of malaria box compounds against malaria exacerbating viral pathogens- Epstein Barr virus and SARS-CoV-2, an in silico study. Medicine in Drug Discovery 16, pages 100146.
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Ma. Sheila M. de Jesus, Allan Patrick G. Macabeo, John Donnie A. Ramos, Von Novi O. de Leon, Kaori Asamitsu & Takashi Okamoto. (2022) Voacanga globosa Spirobisindole Alkaloids Exert Antiviral Activity in HIV Latently Infected Cell Lines by Targeting the NF-kB Cascade: In Vitro and In Silico Investigations. Molecules 27:3, pages 1078.
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Simone Brogi, Mark Tristan Quimque, Kin Israel Notarte, Jeremiah Gabriel Africa, Jenina Beatriz Hernandez, Sophia Morgan Tan, Vincenzo Calderone & Allan Patrick Macabeo. (2022) Virtual Combinatorial Library Screening of Quinadoline B Derivatives against SARS-CoV-2 RNA-Dependent RNA Polymerase. Computation 10:1, pages 7.
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Mark Tristan J. Quimque, Kin Israel R. Notarte, Von Novi O. de Leon, Joe Anthony H. Manzano, John Emmanuel R. Muñoz, Delfin Yñigo H. PilapilIVIV, Justin Allen K. Lim & Allan Patrick G. Macabeo. 2022. Frontiers of COVID-19. Frontiers of COVID-19 505 537 .

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