Results 31 to 40 of about 198 (126)

IN SILICO METHODS FOR DRUG DESIGN AND DISCOVERY [PDF]

, 2020
Computer-aided drug design (CADD) methodologies are playing an ever-increasing role in drug discovery that are critical in the cost-effective identification of promising drug candidates.
José L. Medina-Franco, Kamil Kuca, Marian Valko, Simone Brogi, Teodorico Castro Ramalho   +4 more
core   +1 more source

Introducing Catastrophe-QSAR. Application on Modeling Molecular Mechanisms of Pyridinone Derivative-Type HIV Non-Nucleoside Reverse Transcriptase Inhibitors [PDF]

, 2011
The classical method of quantitative structure-activity relationships (QSAR) is enriched using non-linear models, as Thom’s polynomials allow either uni- or bi-variate structural parameters. In this context, catastrophe QSAR algorithms are applied to the
Afantitis, Ana-Maria Putz, Arnold, Bak, Benigni, Cerf, Chattaraj, Chen, Corina Duda-Seiman, Croce, Cronin, De Clercq, De Clercq, Dingli, Duchowicz, Duda-Seiman, Duda-Seiman, El Safadi, Gupta, Hansch, Himmel, Hypercube, Ivetac, Krokidis, Lacorre, Leo, Lu, Mandal, Marino, Marius Lazea, Masterton, Medina-Franco, Mihai V. Putz, Morse, Pavan, Pavan, Poston, Prabhakar, Prajapati, Putz, Putz, Putz, Putz, Putz, Putz, Putz, Putz, Rebehmed, Sanns, Selassie, Seyfel, Silvi, Thom, Todeschini, Topliss, Viret, Viret, Zeeman, Zhan, Zhao   +59 more
core   +3 more sources

The Need for Development of New HIV‐1 Reverse Transcriptase and Integrase Inhibitors in the Aftermath of Antiviral Drug Resistance

Scientifica, Volume 2012, Issue 1, 2012., 2012
The use of highly active antiretroviral therapy (HAART) involves combinations of drugs to achieve maximal virological response and reduce the potential for the emergence of antiviral resistance. There are two broad classes of reverse transcriptase inhibitors, the nucleoside reverse transcriptase inhibitors (NRTIs) and nonnucleoside reverse ...
Mark A. Wainberg, Massimo Clementi, Christophe Marchand, Hans J. Netter, Blake Peterson   +4 more
wiley   +1 more source

Structure-Based Discovery of Novel Diarylpyrimidines as Potent and Selective Non-Nucleoside Reverse Transcriptase Inhibitors: From CH(CN)-Biphenyl-Diarylpyrimidines to C=NNH2-Biphenyl-Diarylpyrimidines [PDF]

In order to enhance the anti-HIV-1 potency and selectivity of the previously reported compound 3 (EC50 = 27 nM, SI = 1361), a series of novel biphenyl-diarylpyrimidine derivatives were developed by employing structure-based drug design strategy.
Chen, Fen-Er, Chen, Xiao-Mei, Corona, Angela, De Clercq, Erik, Dettori, Laura, Lian, Yu-Xuan, Pannecouque, Christophe, Tramontano, Enzo, Wang, Shuai   +8 more
core   +1 more source

Powering the Future: Opportunities and Obstacles in Lead‐Halide Inorganic Perovskite Solar Cells

Advanced Science, Volume 12, Issue 11, March 20, 2025.
This review explores recent advancements, challenges, and future opportunities in the low‐cost fabrication of efficient inorganic perovskite solar cells (PSCs). It focuses on the manufacturing of PSCs under ambient conditions using low‐temperature processes.
Narendra Pai, Dechan Angmo
wiley   +1 more source

Role of Pyrimidine Derivatives in the Treatment of Cancer [PDF]

The study of the chemistry of pyrimidines is contributing to the expansion of research into the therapeutic applications of these compounds. In the field of medicinal chemistry, the sheer number of pyrimidine synthesis methods and reactions that are ...
Dangwal, Kiran, Gaisamudre (Sarwade), Kavita Narayan, kumar, Subham, Maurya, Chandresh, Otia, Mihir, Prakash, Jay, Sarwade, Prakash Pralhad, Srinandhinidevi, K. M.   +7 more
core   +2 more sources

Covalent Organic Frameworks and 2D Materials Hybrids: Synthesis Strategies, Properties Enhancements, and Future Directions

Small, Volume 21, Issue 8, February 25, 2025.
This review presents the current state of 2D materials (2DMs) ‐ covalent organic frameworks (COFs) hybrids, focusing on their physicochemical properties, synthesis methods, and applications in sensing, catalysis, energy storage, and filtration. It outlines the strengths and weaknesses of 2DMs and COFs, highlights synergistic benefits from hybridization,
Cataldo Valentini, Verónica Montes‐García, Dawid Pakulski, Paolo Samorì, Artur Ciesielski   +4 more
wiley   +1 more source

Structural modification of diarylpyrimidine derivatives as HIV-1 reverse transcriptase inhibitors [PDF]

, 2014
© 2014 Springer Science+Business Media New York. As a continuing and exploratory work on diarylpyrimidines (DAPYs) as human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) inhibitors, bulky and electron-rich naphthyl was introduced into ...
Christophe Pannecouque, Erik De Clercq, Fen-Er Chen, Jan Balzarini, Shuang-Xi Gu, Yuan-Yuan Zhu   +5 more
core   +1 more source

Monkeypox: Origin, Transmission, Clinical Manifestations, Prevention, and Therapeutic Options

Interdisciplinary Perspectives on Infectious Diseases, Volume 2025, Issue 1, 2025.
Monkeypox is a rapidly spreading transmissible disease induced by the monkeypox virus (MPXV), a major public health problem worldwide. The origin of monkeypox might be tracked to the continent of Africa, where it first afflicted primate species prior to spreading to the world.
Sajal Kumar Halder, Arafin Sultana, Mahbubul Kabir Himel, Aparna Shil, Massimiliano Lanzafame   +4 more
wiley   +1 more source

Unveiling the Latest Biological Insights of Indole and its Derivatives: A Compact Review [PDF]

Indole, a versatile pharmacophore and privileged scaffold exhibits diverse pharmacological activities such as antidiabetic, anticancer, anti-convulsant, antidepressant, antimicrobial, anti-HIV, anti-inflammatory,  antimalarial and antifungal effects.
Hiyashree Sharmah, Lokman Ali Ahmed, Sahnaz Begum Tapadar, Mustafa Khurshid Alam, Nurjamal Hoque, Kamlesh Mistry, Lakhyajit Borah, Himanshu Gogoi, Izaz Hussain
core   +2 more sources