Molecular docking and structure-based drug design strategies
Pharmaceutical research has successfully incorporated a wealth of molecular modeling
methods, within a variety of drug discovery programs, to study complex biological and …
methods, within a variety of drug discovery programs, to study complex biological and …
Chemo-and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review
Covering: up to 2014 In silico approaches have been widely recognised to be useful for drug
discovery. Here, we consider the significance of available databases of medicinal plants and …
discovery. Here, we consider the significance of available databases of medicinal plants and …
Analysis of the physicochemical properties of acaricides based on Lipinski's rule of five
X Chen, H Li, L Tian, Q Li, J Luo… - Journal of computational …, 2020 - liebertpub.com
This study aimed to explore the similarity between the physical and chemical properties of
different acaricides, determine whether Lipinski's Rule of Five (RO5) used in the design of …
different acaricides, determine whether Lipinski's Rule of Five (RO5) used in the design of …
Targeting Epstein-Barr virus nuclear antigen 1 (EBNA-1) with Murraya koengii bio-compounds: An in-silico approach.
V Mathivadani, AS Smiline Girija… - Acta …, 2020 - search.ebscohost.com
Abstract Epstein-Barr virus (EBV), a B lymphotrophic herpesvirus associated with various
forms of tumors, exhibits several latency phases with expressed EBV nuclear antigen 1 …
forms of tumors, exhibits several latency phases with expressed EBV nuclear antigen 1 …
In vitro potential antiviral SARS-CoV-19-activity of natural product thymohydroquinone and dithymoquinone from Nigella sativa
Inflammation, oxidation, and compromised immunity all increase the dangers of COVID-19,
whereas many pharmaceutical protocols may lead to increased immunity such as ingesting …
whereas many pharmaceutical protocols may lead to increased immunity such as ingesting …
Computational screening of medicinal plant phytochemicals to discover potent pan-serotype inhibitors against dengue virus
M Tahir ul Qamar, A Maryam, I Muneer, F Xing… - Scientific reports, 2019 - nature.com
Emergence of Dengue as one of the deadliest viral diseases prompts the need for
development of effective therapeutic agents. Dengue virus (DV) exists in four different …
development of effective therapeutic agents. Dengue virus (DV) exists in four different …
Experimental and theoretical investigation for 6-Morpholinosulfonylquinoxalin-2 (1H)-one and its haydrazone derivate: Synthesis, characterization, tautomerization …
This work aimed to synthesize a safe antimicrobial agent based on dihydroquinoxalinedione
derivatives. The structure of the synthesized compounds was established based on different …
derivatives. The structure of the synthesized compounds was established based on different …
Synthesis and biological evaluation of a new series of benzimidazole derivatives as antimicrobial, antiquorum-sensing and antitumor agents
NS El-Gohary, MI Shaaban - European journal of medicinal chemistry, 2017 - Elsevier
New benzimidazole derivatives were synthesized and assessed for antimicrobial efficacy
toward Escherichia coli, Bacillus cereus, Staphylococcus aureus, Candida albicans and …
toward Escherichia coli, Bacillus cereus, Staphylococcus aureus, Candida albicans and …
Updates on drug designing approach through computational strategies: a review
The drug discovery and development (DDD) process in pursuit of novel drug candidates is a
challenging procedure requiring lots of time and resources. Therefore, computer-aided drug …
challenging procedure requiring lots of time and resources. Therefore, computer-aided drug …
The Screening of phytochemicals against NS5 Polymerase to treat Zika Virus infection: Integrated computational based approach
Background: The recent Zika Virus (ZIKV) outbreak provides a spur for new, efficient, and
safe anti-Zika Virus agents. RNA-dependent RNA polymerase (RdRp) is critical amongst the …
safe anti-Zika Virus agents. RNA-dependent RNA polymerase (RdRp) is critical amongst the …