Development of anti-viral agents using molecular modeling and virtual screening techniques

J Kirchmair, S Distinto, K Roman Liedl… - … Current Drug Targets …, 2011 - ingentaconnect.com
Computational chemistry has always played a key role in anti-viral drug development. The
challenges and the quickly rising public interest when a virus is becoming a threat has …

Antiviral study on Punica granatum L., Momordica charantia L., Andrographis paniculata Nees, and Melia azedarach L., to human herpes virus-3

D Angamuthu, I Purushothaman, S Kothandan… - European Journal of …, 2019 - Elsevier
Abstract Introduction Human Herpes Virus-3 (Varicella Zoster Virus) causes Chickenpox in
childhood and reactivates after decades of being latent to cause Herpes Zoster in adults …

Novel C-6 Fluorinated Acyclic Side Chain Pyrimidine Derivatives:  Synthesis, 1H and 13C NMR Conformational Studies, and Antiviral and Cytostatic Evaluations

S Prekupec, D Makuc, J Plavec, L Šuman… - Journal of medicinal …, 2007 - ACS Publications
The synthetic route for introduction of a fluoroalkyl (7− 12, 14), fluoroalkenyl (15 and 16),
fluorophenylalkyl (17, 19, 20, and 22), and fluorophenylalkenyl (18, 21) side chain at C-6 of …

Ester prodrugs of acyclic nucleoside thiophosphonates compared to phosphonates: synthesis, antiviral activity and decomposition study

L Roux, S Priet, N Payrot, C Weck, M Fournier… - European Journal of …, 2013 - Elsevier
9-[2-(Thiophosphonomethoxy) ethyl] adenine [S-PMEA, 8] and (R)-9-[2-(
Thiophosphonomethoxy) propyl] adenine [S-PMPA, 9] are acyclic nucleoside …

Identifying HSV-1 Inhibitors from Natural Compounds via Virtual Screening Targeting Surface Glycoprotein D

J Wu, H Power, M Miranda-Saksena, P Valtchev… - Pharmaceuticals, 2022 - mdpi.com
Herpes simplex virus (HSV) infections are a worldwide health problem in need of new
effective treatments. Of particular interest is the identification of antiviral agents that act via …

Synthesis, in Vitro Antiviral Evaluation, and Stability Studies of Novel α-Borano-Nucleotide Analogues of 9-[2-(Phosphonomethoxy)ethyl]adenine and (R)-9-[2 …

K Barral, S Priet, J Sire, J Neyts… - Journal of medicinal …, 2006 - ACS Publications
We describe here the synthesis of 9-[2-(Boranophosphonomethoxy) ethyl] adenine (6a) and
(R)-9-[2-(Boranophosphonomethoxy) propyl] adenine (6b), the first α-boranophosphonate …

9-Arylpurines as a novel class of enterovirus inhibitors

L Aguado, HJ Thibaut, EM Priego… - Journal of medicinal …, 2010 - ACS Publications
Here we report on a novel class of enterovirus inhibitors that can be structurally described as
9-arylpurines. These compounds elicit activity against a variety of enteroviruses in the low …

Mechanism of resistance to acyclovir in thymidine kinase mutants from Herpes simplex virus type 1: A computational approach

VWH Rabelo, NC Romeiro, ICNP Paixão… - Journal of …, 2020 - Taylor & Francis
Herpes simplex virus type 1 (HSV-1) infections affect about two-thirds of the world
population, and the standard treatment consists of acyclovir (ACV) and its analogs, which …

Synthesis and biological evaluation of iodinated and fluorinated 9-(2-hydroxypropyl) and 9-(2-hydroxyethoxy) methyl purine nucleoside analogues

S Prekupec, D Svedružić, T Gazivoda… - Journal of medicinal …, 2003 - ACS Publications
The novel fluorinated and iodinated purine derivatives containing 9-(2-hydroxypropyl)(1a−
7a and 9a− 13a) and 9-(2-hydroxyethoxymethyl)(1b− 3b, 5b, and 7b− 12c) side chains were …

Synthesis, 18F‐Radiolabelling and Biological Evaluations of C‐6 Alkylated Pyrimidine Nucleoside Analogues

S Raić‐Malić, A Johayem, SM Ametamey… - … and Nucleic Acids, 2004 - Taylor & Francis
Synthesis of pyrimidine derivatives with a side‐chain attached to the C‐6 of pyrimidine ring
(6–14) is reported. Target compounds 8 and 12 were subjected to in vitro phosphorylation …