27 documents found, page 1 of 3
Advancements in drug discovery
Sobral, Patrícia S.; Carvalho, Tiago; Izadi, Shiva; Castilho, Alexandra; Silva, Zélia; Videira, Paula A.; Pereira, FlorbelaSI I&DT - 17/SI/2019, CEECIND/01649/2021, 47212. Publisher Copyright: © 2025 The Author(s); Despite significant strides in improving cancer survival rates, the global cancer burden remains substantial, with an anticipated rise in new cases. Immune checkpoints, key regulators of immune responses, play a crucial role in cancer evasion mechanisms. The discovery of immune checkpoint inhibitors (ICIs) targeting PD-1...
The cytochalasans
Tammam, Mohamed A.; Pereira, Florbela; Skellam, Elizabeth; Bidula, Stefan; Ganesan, A.; El-Demerdash, AmrFunding Information: Amr El-Demerdash is thankful to his home universities, University of East Anglia (UK) and Mansoura University (Egypt) for the unlimited support, inside and outside. Elizabeth Skellam is thankful for the National Science Foundation (NSF) for a financial support (Grant number 2048347). Mohamed A. Tammam is humbly dedicating this work to the soul of his sister Dr Mai A. Tammam who passed away ...
A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for...
Rabelo, Henrique; Tsimiante, Ayana; Binev, Yuri; Pereira, FlorbelaFunding Information: This research was funded by Fundação para a Ciência e Tecnologia (FCT) Portugal, grant number UIDB/50006/2020 (LAQV-REQUIMTE). F.P. gratefully acknowledges FCT for an assistant research position (CEECIND/01649/2021). Publisher Copyright: © 2025 by the authors.; (1) Background: Although the field of natural product (NP) drug discovery has been extensively developed, there are still several b...
Investigating the Structure-Activity Relationship of Laulimalides Marine Macrol...
Elgohary, Alaa M.; Elfiky, Abdo A.; Pereira, Florbela; Gamal El-Din, Mariam I.; Tammam, Mohamed A.; Aouidate, Adnane; El-Demerdash, AmrPublisher Copyright: © 2024 World Scientific Publishing Company.; SARS-CoV-2, the new coronavirus variant, has been a worldwide health crisis that may outbreak at any time in the future. Over spans of human history, preparations derived from natural products have always been recognized as a preliminary source of medications. Taking into account the SARS-CoV-2 main protease (Mpro) as the essential element of the...
Unveiling the potential of marine-derived diterpenes from the order Alcyonacea ...
Tammam, Mohamed A.; Aly, Omnia; Pereira, Florbela; Mahdy, Aldoushy; El-Demerdash, AmrPublisher Copyright: © 2024 The Author(s); Metabolic syndrome (MS) represents a global health challenge characterized by various metabolic disorders, including HOMA-IR (insulin resistance), obesity, dyslipidemia, and hypertension. In our pursuit of identifying natural alternatives for the development of effective and safe anti-obesity medications, we examined the potential of the methanolic extract of the Red S...
Deciphering the potential of Cymbopogon citratus (DC.) Stapf as an anti-obesity...
Aly, Omnia; Mekky, Reham Hassan; Pereira, Florbela; Diab, Yasser M.; Tammam, Mohamed A.; El-Demerdash, AmrFunding Information: Florbela Pereira gratefully acknowledges FCT \u2013 Funda\u00E7\u00E3o para a Ci\u00EAncia e a Tecnologia, I. P., for an Assistant Research Position (CEECIND/01649/2021). Mohamed A. Tammam is humbly dedicating this work to the soul of his sister Dr Mai A. Tammam who passed away on 19 of March 2022, she was always a kind supporter in all aspects of his life. Amr El-Demerdash is thankful to h...
Assessing the Potential of 1,2,3-Triazole-Dihydropyrimidinone Hybrids Against C...
Gastalho, Carlos M.; Sena, Ana M.; López, Óscar; Fernández-Bolaños, José G.; García-Sosa, Alfonso T.; Pereira, Florbela; Antunes, Célia M.A.T.G.-S. thanks the Estonian Research Council (grant PRG1509) for financing. O.L. and J.G.F.B. thanks the Grant PID2020-116460RB-I00 funded by MCIN/AEI/10.13039/501100011033. C.M.A. and A.R.C. thank FCT for funding through the strategic projects to ICT (projects UIBD/04683/2020 and UIDP/04683/2020). F.P. gratefully acknowledges FCT, I.P., for an Assistant Research Position (CEECIND/01649/2021). © 2024 by the a...
Design of Promising Thiazoloindazole-Based Acetylcholinesterase Inhibitors Guid...
Laghchioua, Fatima Ezzahra; da Silva, Carlos F. M.; Pinto, Diana C. G. A.; Cavaleiro, José A.S.; Mendes, Ricardo F.; Paz, Filipe A.AlmeidaFunding Information: The authors also thank the Sultan Moulay Slimane University. R.F.M. and F.P. gratefully acknowledge FCT for a Assistant Research Position (CEECIND/01649/2021). We thank Chemaxon Ltd. for access to JChem, Reactor, and Marvin. Publisher Copyright: © 2024 The Authors. Published by American Chemical Society.; Alzheimer’s disease is characterized by a progressive deterioration of cognitive funct...
Machine Learning for the Prediction of Ionization Potential and Electron Affini...
Pereira, FlorbelaFP gratefully acknowledges FCT for an Assistant Research Position (CEECIND/01649/2021). We thank Chemaxon Ltd. for access to JChem and Marvin. The author thanks João Aires‐de‐Sousa (NOVA School of Science and Technology, NOVA University of Lisbon) for many interesting discussions and suggestions about different aspects of this work Publisher Copyright: © 2023 Wiley-VCH GmbH.; Quantum chemical (QC) calculations ...
Computational Approaches Drive Developments in Immune-Oncology Therapies for PD...
Sobral, Patrícia S.; Luz, Vanessa C. C.; Almeida, João M. G. C. F.; Videira, Paula A.; Pereira, FlorbelaFunding Information: This research was funded by Fundação para a Ciência e Tecnologia (FCT) Portugal, the European Commission GLYCOTwinning (GA 101079417), and SI I&DT, DCMatters (AVISO Nº 17/SI/2019) REF 47212. F.P. gratefully acknowledges FCT for an Assistant Research Position (CEECIND/01649/2021). Publisher Copyright: © 2023 by the authors.; Computational approaches in immune-oncology therapies focus on usin...