SCI Abstract

search
+
BioPrint meets the AI age: development of artificial intelligence-based ADMET models for the drug-discovery platform SAFIRE
BioPrint meets the AI age: development of artificial intelligence-based ADMET models for the drug-discovery platform SAFIRE
Background: To prioritize compounds with a higher likelihood of success, artificial intelligence models can be used to pre...
Chitosan–sulfonic acid-catalyzed green synthesis of naphthalene-based azines as potential anticancer agents
Chitosan–sulfonic acid-catalyzed green synthesis of naphthalene-based azines as potential anticancer agents
Aim: This study focuses on advancing green chemistry in anticancer drug discovery, particularly through the synthesis of a...
Discovery of novel covalent inhibitors of DJ-1 through hybrid virtual screening
Discovery of novel covalent inhibitors of DJ-1 through hybrid virtual screening
Background: DJ-1 is a ubiquitously expressed protein with multiple functions. Its overexpression has been associated with ...
Antimicrobial activity of carvacrol and its derivatives on Mycobacterium spp.: systematic review of preclinical studies
Antimicrobial activity of carvacrol and its derivatives on Mycobacterium spp.: systematic review of preclinical studies
Background: The scope of the study was to analyze original preclinical studies on the antimicrobial effects of carvacrol a...
Drug discovery and development: the role of artificial intelligence in drug repurposing
Drug discovery and development: the role of artificial intelligence in drug repurposing
The authors have no competing interests or relevant affiliations with any organization or entity with the subject matter o...
Design, synthesis and mechanistic study of new dual targeting HDAC/tubulin inhibitors
Design, synthesis and mechanistic study of new dual targeting HDAC/tubulin inhibitors
Aim: The purpose of this work is to create and synthesize a new class of chemicals: 3-cyano-2-substituted pyridine compoun...
Synthesis and molecular docking studies of 5-trifluoromethoxy-2-indolinones as cholinesterase dual inhibitors
Synthesis and molecular docking studies of 5-trifluoromethoxy-2-indolinones as cholinesterase dual inhibitors
Background: In Alzheimer’s disease, butyrylcholinesterase (BuChE) activity gradually increases, while acetylcholinesterase...
Exploring the antimicrobial and cytotoxic potential of novel chloroquine analogues
Exploring the antimicrobial and cytotoxic potential of novel chloroquine analogues
Aim: To synthesize novel chloroquine analogues and evaluate them for antimicrobial and cytotoxic potential. Methods: Novel...
Evaluation of novel synthesized thiazole derivatives as potential aromatase inhibitors against breast cancer
Evaluation of novel synthesized thiazole derivatives as potential aromatase inhibitors against breast cancer
Background: 4-Methylacetophenone is used in the preparation of starting materials, 4-methylphenacyle bromide (2) and 4-met...
Novel 1,2,4-triazoles as selective carbonic anhydrase inhibitors showing ancillary anticathepsin B activity
Novel 1,2,4-triazoles as selective carbonic anhydrase inhibitors showing ancillary anticathepsin B activity
Background: Exploration of the multi-target approach considering both human carbonic anhydrase (hCA) IX and XII and cathep...
The contemplation of amylose for the delivery of ulcerogenic nonsteroidal anti-inflammatory drugs
The contemplation of amylose for the delivery of ulcerogenic nonsteroidal anti-inflammatory drugs
This manuscript proposes an innovative approach to mitigate the gastrointestinal adversities linked with nonsteroidal anti...
One-step synthesis of diaryloxadiazoles as potent inhibitors of BCRP
One-step synthesis of diaryloxadiazoles as potent inhibitors of BCRP
Aim: BCRP plays a major role in the efflux of cytotoxic molecules, limiting their antiproliferative activity. We aimed to ...
Design, synthesis and evaluation of new thiazolidin-4-ones as LPA1 receptor antagonists for breast cancer therapy
Design, synthesis and evaluation of new thiazolidin-4-ones as LPA1 receptor antagonists for breast cancer therapy
Aim: Breast cancer has been a leading cause of mortality among women worldwide in recent years. Targeting the lysophosphat...
PTSA-induced synthesis, in silico and nano study of novel ethylquinolin–thiazolo–triazole in cervical cancer
PTSA-induced synthesis, in silico and nano study of novel ethylquinolin–thiazolo–triazole in cervical cancer
Aim: p-Toluenesulfonic acid-(PTSA) and grinding-induced novel synthesis of ethylquinolin–thiazolo–triazole derivatives was...
ProHES: hydroxyethyl starch's transformative role in anticancer drug delivery
ProHES: hydroxyethyl starch's transformative role in anticancer drug delivery
The authors have no financial involvement with any organization or entity with a financial interest in or financial confli...
Design and synthesis of novel coumarin–benzimidazole hybrids as human galectin-1 inhibitors
Design and synthesis of novel coumarin–benzimidazole hybrids as human galectin-1 inhibitors
Aim: To develop novel non-carbohydrate inhibitors of human galectin-1 (GAL-1), we have designed a series of coumarin–benzi...
Novel xylenyl-spaced bis-thiazoles/thiazines: synthesis, biological profile as herpes simplex virus type 1 inhibitors and in silico simulations
Novel xylenyl-spaced bis-thiazoles/thiazines: synthesis, biological profile as herpes simplex virus type 1 inhibitors and in silico simulations
Aims: Development of some potent bis-thiazole and bis-thiazine derivatives that could be used as antiviral prototypes. Mat...
Novel benzimidazole derivatives as effective inhibitors of prolyl oligopeptidase: synthesis, in vitro and in silico analysis
Novel benzimidazole derivatives as effective inhibitors of prolyl oligopeptidase: synthesis, in vitro and in silico analysis
Background: This research aims to discover novel derivatives having potential therapeutic applications in treating conditi...
In vitro cytotoxic investigation of some synthesized 1,6-disubstituted-1-azacoumarin derivatives as anticancer agents
In vitro cytotoxic investigation of some synthesized 1,6-disubstituted-1-azacoumarin derivatives as anticancer agents
Aims: In this study, novel synthesized 1,6-disubstituted-1-azacoumarin-3-carboxylic acid derivatives were designed, synthe...
New 3-amino-2-thioxothiazolidin-4-one-based inhibitors of acetyl- and butyryl-cholinesterase: synthesis and activity
New 3-amino-2-thioxothiazolidin-4-one-based inhibitors of acetyl- and butyryl-cholinesterase: synthesis and activity
Aim: 2-Thioxothiazolidin-4-one represents a versatile scaffold in drug development. The authors used it to prepare new pot...
Mucin glycosylation: a potential target for prostate cancer management
Mucin glycosylation: a potential target for prostate cancer management
The authors duly acknowledge the Research Grant from DST-SERB, India for supporting this work. P Prasher thanks DST-SERB f...
Kynomycin: a beacon of hope in the battle against antibiotic resistance
Kynomycin: a beacon of hope in the battle against antibiotic resistance
The authors have no financial involvement with any organization or entity with a financial interest in or financial confli...
Synthesis of 1,3,4-oxadiazoles with 4-methoxynaphthalene ring: discovering new compounds with antimicrobial activity
Synthesis of 1,3,4-oxadiazoles with 4-methoxynaphthalene ring: discovering new compounds with antimicrobial activity
Background: Paracoccidioidomycosis (PCM) is a systemic infection caused by Paracoccidioides spp. (Pb). PCM can be associat...
Novel amodiaquine analogues to treat cervical cancer and microbial infection in the future
Novel amodiaquine analogues to treat cervical cancer and microbial infection in the future
Aim: To synthesize and explore the therapeutic potential of amodiaquine analogues. Methodology: New promising analogues we...
Synthesis, biological evaluation and in silico studies of some new analogues of 3,5-disubstituted thiazolidin-2,4-dione
Synthesis, biological evaluation and in silico studies of some new analogues of 3,5-disubstituted thiazolidin-2,4-dione
Background: A new series of 3,5-disubstituted thiazolidin-2,4-dione molecules were derived and characterized using various...
Hydrazone–sulfonate hybrids as potential cholinesterase inhibitors: design, synthesis and molecular modeling simulation
Hydrazone–sulfonate hybrids as potential cholinesterase inhibitors: design, synthesis and molecular modeling simulation
Aim: Design and synthesis of a series of hydrazone–sulfonate hybrids, 5a–r. Methodology: The inhibitory properties of the ...
Norfloxacin derivatives as DNA gyrase and urease inhibitors: synthesis, biological evaluation and molecular docking
Norfloxacin derivatives as DNA gyrase and urease inhibitors: synthesis, biological evaluation and molecular docking
Background: DNA gyrase and urease enzymes are important targets for the treatment of gastroenteritis, appendicitis, tuberc...
Polyhydroquinoline derivatives for diabetic management: synthesis, in vitro and in silico approaches
Polyhydroquinoline derivatives for diabetic management: synthesis, in vitro and in silico approaches
Background: Medication used to treat Type 2 diabetes by decreasing the absorption of carbohydrates in the intestine consis...
Design and synthesis of novel pyrazolopyrimidine candidates as promising EGFR-T790M inhibitors and apoptosis inducers
Design and synthesis of novel pyrazolopyrimidine candidates as promising EGFR-T790M inhibitors and apoptosis inducers
Aim: Our objective was to design and synthesize a new range of pyrazolopyrimidines while maintaining the key pharmacophori...
Erlotinib-containing benzenesulfonamides as anti-Helicobacter pylori agents through carbonic anhydrase inhibition
Erlotinib-containing benzenesulfonamides as anti-Helicobacter pylori agents through carbonic anhydrase inhibition
Aim: Development of dual-acting antibacterial agents containing Erlotinib, a recognized EGFR inhibitor used as an anticanc...
Load More
format_indent_increase