The role and potential of computer-aided drug discovery strategies in the discovery of novel antimicrobials
Antimicrobial resistance (AMR) has become more of a concern in recent decades,
particularly in infections associated with global public health threats. The development of …
particularly in infections associated with global public health threats. The development of …
Spirobisnaphthalenes from Fungi, Biological activities and Total Synthesis: A Research Review
L Xu, H Ma, X An, M Wang - Asian Journal of Organic …, 2023 - Wiley Online Library
Spirobisnaphthalenes are a family of natural products containing two naphthalenes
connected with spiroketal or dinaphthalene spiroether. This family of natural compounds has …
connected with spiroketal or dinaphthalene spiroether. This family of natural compounds has …
In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone Helichrysum petiolare Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus
Diabetes mellitus (DM) is a chronic metabolic condition that can lead to significant
complications and a high fatality rate worldwide. Efforts are ramping up to find and develop …
complications and a high fatality rate worldwide. Efforts are ramping up to find and develop …
Potential matrix metalloproteinase 2 and 9 inhibitors identified from Ehretia species for the treatment of chronic wounds-Computational drug discovery approaches
Matrix metalloproteinases (MMPs) serve as prognostic factors in several pathophysiological
conditions, including chronic wounds. Therefore, they are considered important therapeutic …
conditions, including chronic wounds. Therefore, they are considered important therapeutic …
Enhancing commercial antibiotics with trans-cinnamaldehyde in Gram-positive and Gram-negative bacteria: An in vitro approach
N Ferrando, MR Pino-Otín, D Ballestero, G Lorca… - Plants, 2024 - mdpi.com
One strategy to mitigate the emergence of bacterial resistance involves reducing antibiotic
doses by combining them with natural products, such as trans-cinnamaldehyde (CIN). The …
doses by combining them with natural products, such as trans-cinnamaldehyde (CIN). The …
Computational screening of plant-derived natural products against SARS-CoV-2 variants
The present study explores the efficacy of plant-derived natural products (PDNPs) against
spike glycoproteins (S-glycoprotein) of SARS-CoV-2 variants using molecular docking …
spike glycoproteins (S-glycoprotein) of SARS-CoV-2 variants using molecular docking …
Zinc (II) complex of (Z)-4-((4-nitrophenyl) amino) pent-3-en-2-one, a potential antimicrobial agent: Synthesis, characterization, antimicrobial screening, DFT calculation …
Herein, the synthesis and characterizations of (Z)-4-((4-nitrophenyl) amino) pent-3-en-2-one
(HL) ligand and its Zn (II) complex are reported. The compounds were characterized using …
(HL) ligand and its Zn (II) complex are reported. The compounds were characterized using …
Pan-genome mediated therapeutic target mining in Kingella kingae and inhibition assessment using traditional Chinese medicinal compounds: an informatics …
Z Basharat, A Meshal - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
Kingella kingae causes bacteremia, endocarditis, osteomyelitis, septic arthritis, meningitis,
spondylodiscitis, and lower respiratory tract infections in pediatric patients. Usually it …
spondylodiscitis, and lower respiratory tract infections in pediatric patients. Usually it …
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials
Antibiotic resistance is a major threat to public health. The development of chemo-informatic
tools to guide medicinal chemistry campaigns in the efficint design of antibacterial libraries is …
tools to guide medicinal chemistry campaigns in the efficint design of antibacterial libraries is …
GC–MS analysis, molecular docking, and pharmacokinetic studies on Dalbergia sissoo barks extracts for compounds with anti-diabetic potential
Diabetes is a metabolic condition defined by abnormal blood sugar levels. Targeting starch-
hydrolyzing enzymes and Dipeptidyl Peptidase 4 (DPP-4) expressed on the surface of …
hydrolyzing enzymes and Dipeptidyl Peptidase 4 (DPP-4) expressed on the surface of …