Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram …
In the Gram-negative pathogen Yersinia pseudotuberculosis and Chlamydia, the aggregate
use of molecular docking, molecular dynamic simulations, and ADMET was successfully …
use of molecular docking, molecular dynamic simulations, and ADMET was successfully …
QSAR study of antituberculosis activity of oxadiazole derivatives using DFT calculations
S Hosseini, S Ketabi… - Journal of Receptors and …, 2022 - Taylor & Francis
Mycobacterium tuberculosis (Mtb) is the causative agent of infectious diseases worldwide.
Oxadiazole derivatives have many biological activities and can be a good alternative to …
Oxadiazole derivatives have many biological activities and can be a good alternative to …
Molecular level interaction, HOMO-LUMO, MEP, UV–Vis, Hirshfeld, topological analysis, and in-vitro of isoflavones from Eremostachys Vicaryi Benth. Ex Hook. f.
Abstract Eremostachys vicaryi Benth. Ex Hook. f.(Labiatae), a Pakistani (Baluchistan) herbal
medicinal plant commonly known as “Stagh,” which has a sharp taste and smell. It acts as an …
medicinal plant commonly known as “Stagh,” which has a sharp taste and smell. It acts as an …
[PDF][PDF] QSAR Studies and Structure Property/Activity Relationships Applied in Pyrazine Derivatives as Antiproliferative Agents Against the BGC823
Electronic structures, the effect of the substitution, structure physicochemical property/activity
relationships and drug-likeness applied in pyrazine derivatives, have been studied at ab …
relationships and drug-likeness applied in pyrazine derivatives, have been studied at ab …
Exploring the electron-hole transport nature and optoelectronic properties of 4-nitro-4′-amino-azobenzene-based dyes
A Irfan - Structural Chemistry, 2021 - Springer
Charge transport and electronic properties of 4-nitro-4′-amino-azobenzene compounds
with donor-acceptor backbone were examined at the molecular level. Optical properties of …
with donor-acceptor backbone were examined at the molecular level. Optical properties of …
In silico Exploration of Pharmacological and Molecular Descriptor Properties of Salacinol and Its Related Analogues
Y Hussein, Y Aziz, IM Ahmed - Journal of the Turkish Chemical Society … - dergipark.org.tr
Salacinol and its related analogues have been known for their potent α-glucosidase inhibitor
activity and making them interesting candidates for a new type of anti-diabetic agent …
activity and making them interesting candidates for a new type of anti-diabetic agent …