研飞ivySCI (青藤学术）

Molecular Diversity

短名	Mol. Divers.
Journal Impact	3.75
国际分区	CHEMISTRY, MULTIDISCIPLINARY(Q2)
期刊索引	SCI Q2中科院 2 区

ISSN	1381-1991, 1573-501X
h-index	63
国内分区	化学(2区)化学应用化学(3区)化学药物化学(3区)化学化学综合(3区)

MOLECULAR DIVERSITY 是一个新的出版论坛，用于快速发表专门描述分子多样性和组合化学在基础和应用研究以及药物发现中的发展、应用和理论的参考论文。该杂志发表短文和全文、观点、新闻和评论，涉及分子多样性产生的各个方面、应用多样性筛选所有类型的替代目标（生物、生物物理、技术）、分析获得的结果及其在各种科学学科/方法中的应用，包括：组合化学和平行合成；小分子库；微波合成；流动合成；氟合成；多样性导向合成 (DOS)；纳米反应器；点击化学；多重技术；基于片段和配体的设计；结构/功能/SAR；计算化学和分子设计；化学信息学；筛选技术和筛选接口；分析和纯化方法；机器人、自动化和小型化；靶向库；展示库；肽和类肽；蛋白质；寡核苷酸；碳水化合物；自然多样性;库制定和反卷积的新方法；定向进化、生命起源和重组；搜索技术、景观、随机化学等；

期刊主页投稿网址

涉及主题	化学生物生物化学有机化学物理立体化学组合化学遗传学医学催化作用量子力学计算机科学核磁共振材料科学生物信息学药物化学内科学工程类
出版信息	出版商: Springer Nature，出版周期: Quarterly，期刊类型: journal
基本数据	创刊年份: 2003，原创研究文献占比: 93.22%，自引率:2.60%， Gold OA占比: 7.62%
平均审稿周期	网友分享经验：平均3.8个月
平均录用比例	网友分享经验：较易

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专利引用格式

Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology

2024-9-11

An overview: total synthesis of arborisidine, and arbornamine

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Machine learning, network pharmacology, and molecular dynamics reveal potent cyclopeptide inhibitors against dengue virus proteins

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Identification of potential NUDT5 inhibitors from marine bacterial natural compounds via molecular dynamics and free energy landscape analysis

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Identification and validation of oxidative stress-related diagnostic markers for recurrent pregnancy loss: insights from machine learning and molecular analysis

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Flavonol derivatives containing piperazine and quinoxaline fragments: synthesis and antifungal activity

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Ligand and structure-based virtual screening approaches in drug discovery: minireview

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Synthesis and biological evaluation of sulfonamide derivatives containing imidazole moiety as ALK5 inhibitors

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Combination of ligand‑based and structure‑based virtual screening for the discovery of novel Janus kinase 2 inhibitors against philadelphia-negative myeloproliferative neoplasms

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Synthesis, crystal structure, Hirshfeld surface, computational and biological studies of spiro-oxindole derivatives as MDM2-p53 inhibitors

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Celastrol-Ligustrazine compound proven to be a novel drug candidate for idiopathic pulmonary fibrosis by intervening in the TGF-β1 mediated pathways-an experimental in vitro and vivo study

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Design, synthesis, biological evaluation and in silico study of N-(Pyrimidin-2-yl)alkyl/arylamide derivatives as quorum sensing inhibitors against Pseudomonas aeruginosa

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One pot multi-component synthesis of novel functionalized pyrazolo furan-2(5H)-one derivatives: in vitro, DFT, molecular docking, and pharmacophore studies, as coronavirus inhibitors

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A comprehensive review of synthetic and semisynthetic xanthine oxidase inhibitors: identification of potential leads based on in-silico computed ADME characteristics

2024-8-20

Novel molecular inhibitor design for Plasmodium falciparum Lactate dehydrogenase enzyme using machine learning generated library of diverse compounds

2024-8-20

Synthesis, biological activities and mechanistic studies of C20-ketone pachysandra alkaloids as anti-hepatocellular carcinoma agents

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(-)-Epicatechin metabolites as a GPER ligands: a theoretical perspective

2024-8-17

Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modeling

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Advancements in targeting tumor suppressor genes (p53 and BRCA 1/2) in breast cancer therapy

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Design, synthesis, and antifungal activity of novel pyrazole carboxamide derivatives containing benzimidazole moiety as potential SDH inhibitors

2024-8-16

Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies

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Multicomponent reaction for synthesis, molecular docking, and anti-inflammatory evaluation of novel indole-thiazole hybrid derivatives

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Inhibition of monoamine oxidases and neuroprotective effects: chalcones vs. chromones

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Gene network analysis combined with preclinical studies to identify and elucidate the mechanism of action of novel irreversible Keap1 inhibitor for Parkinson’s disease

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Defect-engineered indium–organic framework displays the higher CO2 adsorption and more excellent catalytic performance on the cycloaddition of CO2 with epoxides under mild conditions

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Computational drug repositioning for IL6 triggered JAK3 in rheumatoid arthritis using FDA database

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Novel sulfonyl hydrazide based β-carboline derivatives as potential α-glucosidase inhibitors: design, synthesis, and biological evaluation

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Prediction of Mycobacterium tuberculosis cell wall permeability using machine learning methods

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Discovery of novel 4-trifluoromethyl-2-anilinoquinoline derivatives as potential anti-cancer agents targeting SGK1

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Natural product-derived ALK inhibitors for treating ALK-driven lung cancers: an in silico study

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Green synthesis and cytotoxic activity of functionalized naphthyridine

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Synthesis of novel 4-substituted isatin Schiff base derivatives as potential autophagy inducers and evaluation of their antitumour activity

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Recent developments in the design of functional derivatives of edaravone and exploration of their antioxidant activities

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Application progress of deep generative models in de novo drug design

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MolGC: molecular geometry comparator algorithm for bond length mean absolute error computation on molecules

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Novel quinolone substituted 1,3,4-oxadiazole derivatives: design, synthesis, antimicrobial and anti-inflammatory potential

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Suppressing Mycobacterium tuberculosis virulence and drug resistance by targeting Eis protein through computational drug discovery

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Synthesis, anti-microbial, and docking studies of functionalized chromenyl phosphonates using ionic liquid catalyst

2024-7-31

Scaffolds imparting anthelmintic activity: recent advancements and SAR studies

2024-7-31

Role of interaction mode of phenanthrene derivatives as selective PDE5 inhibitors using molecular dynamics simulations and quantum chemical calculations

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Identification of the potential Pan-CDK antagonists: tracing the path of virtual screening and inhibitory activity on lung cancer cells

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An updated review on 1,2,3-/1,2,4-triazoles: synthesis and diverse range of biological potential

2024-7-27

From antibiotic to antiviral: computational screening reveals a multi-targeting antibiotic from Streptomyces spp. against Nipah virus fusion proteins

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Pyrazoline Spiro-oxindole tethered 1,2,3-triazole hybrids: Design, synthesis, antimicrobial efficacy and molecular modelling studies

2024-7-26

Functional characterization and structural prediction of hypothetical proteins in monkeypox virus and identification of potential inhibitors

2024-7-24

Recent synthetic strategies for N-arylation of pyrrolidines: a potential template for biologically active molecules

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Design, synthesis and antiviral activity of indole derivatives containing quinoline moiety

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PMTPred: machine-learning-based prediction of protein methyltransferases using the composition of k-spaced amino acid pairs

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Virtual screening and molecular dynamics simulation of natural compounds as potential inhibitors of serine/threonine kinase 16 for anticancer drug discovery

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2024-7-20

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Molecular Diversity

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最新文章

Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology

An overview: total synthesis of arborisidine, and arbornamine

Machine learning, network pharmacology, and molecular dynamics reveal potent cyclopeptide inhibitors against dengue virus proteins

Identification of potential NUDT5 inhibitors from marine bacterial natural compounds via molecular dynamics and free energy landscape analysis

Identification and validation of oxidative stress-related diagnostic markers for recurrent pregnancy loss: insights from machine learning and molecular analysis

Flavonol derivatives containing piperazine and quinoxaline fragments: synthesis and antifungal activity

Ligand and structure-based virtual screening approaches in drug discovery: minireview

Synthesis and biological evaluation of sulfonamide derivatives containing imidazole moiety as ALK5 inhibitors

Combination of ligand‑based and structure‑based virtual screening for the discovery of novel Janus kinase 2 inhibitors against philadelphia-negative myeloproliferative neoplasms

Synthesis, crystal structure, Hirshfeld surface, computational and biological studies of spiro-oxindole derivatives as MDM2-p53 inhibitors

Celastrol-Ligustrazine compound proven to be a novel drug candidate for idiopathic pulmonary fibrosis by intervening in the TGF-β1 mediated pathways-an experimental in vitro and vivo study

Design, synthesis, biological evaluation and in silico study of N-(Pyrimidin-2-yl)alkyl/arylamide derivatives as quorum sensing inhibitors against Pseudomonas aeruginosa

One pot multi-component synthesis of novel functionalized pyrazolo furan-2(5H)-one derivatives: in vitro, DFT, molecular docking, and pharmacophore studies, as coronavirus inhibitors

A comprehensive review of synthetic and semisynthetic xanthine oxidase inhibitors: identification of potential leads based on in-silico computed ADME characteristics

Novel molecular inhibitor design for Plasmodium falciparum Lactate dehydrogenase enzyme using machine learning generated library of diverse compounds

Synthesis, biological activities and mechanistic studies of C20-ketone pachysandra alkaloids as anti-hepatocellular carcinoma agents

(-)-Epicatechin metabolites as a GPER ligands: a theoretical perspective

Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modeling

Advancements in targeting tumor suppressor genes (p53 and BRCA 1/2) in breast cancer therapy

Design, synthesis, and antifungal activity of novel pyrazole carboxamide derivatives containing benzimidazole moiety as potential SDH inhibitors

Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies

Multicomponent reaction for synthesis, molecular docking, and anti-inflammatory evaluation of novel indole-thiazole hybrid derivatives

Inhibition of monoamine oxidases and neuroprotective effects: chalcones vs. chromones

Gene network analysis combined with preclinical studies to identify and elucidate the mechanism of action of novel irreversible Keap1 inhibitor for Parkinson’s disease

Defect-engineered indium–organic framework displays the higher CO2 adsorption and more excellent catalytic performance on the cycloaddition of CO2 with epoxides under mild conditions

Computational drug repositioning for IL6 triggered JAK3 in rheumatoid arthritis using FDA database

Novel sulfonyl hydrazide based β-carboline derivatives as potential α-glucosidase inhibitors: design, synthesis, and biological evaluation

Prediction of Mycobacterium tuberculosis cell wall permeability using machine learning methods

Discovery of novel 4-trifluoromethyl-2-anilinoquinoline derivatives as potential anti-cancer agents targeting SGK1

Natural product-derived ALK inhibitors for treating ALK-driven lung cancers: an in silico study

Green synthesis and cytotoxic activity of functionalized naphthyridine

Synthesis of novel 4-substituted isatin Schiff base derivatives as potential autophagy inducers and evaluation of their antitumour activity

Recent developments in the design of functional derivatives of edaravone and exploration of their antioxidant activities

Application progress of deep generative models in de novo drug design

MolGC: molecular geometry comparator algorithm for bond length mean absolute error computation on molecules

Novel quinolone substituted 1,3,4-oxadiazole derivatives: design, synthesis, antimicrobial and anti-inflammatory potential

Suppressing Mycobacterium tuberculosis virulence and drug resistance by targeting Eis protein through computational drug discovery

Synthesis, anti-microbial, and docking studies of functionalized chromenyl phosphonates using ionic liquid catalyst

Scaffolds imparting anthelmintic activity: recent advancements and SAR studies

Role of interaction mode of phenanthrene derivatives as selective PDE5 inhibitors using molecular dynamics simulations and quantum chemical calculations

Identification of the potential Pan-CDK antagonists: tracing the path of virtual screening and inhibitory activity on lung cancer cells

An updated review on 1,2,3-/1,2,4-triazoles: synthesis and diverse range of biological potential

From antibiotic to antiviral: computational screening reveals a multi-targeting antibiotic from Streptomyces spp. against Nipah virus fusion proteins

Pyrazoline Spiro-oxindole tethered 1,2,3-triazole hybrids: Design, synthesis, antimicrobial efficacy and molecular modelling studies

Functional characterization and structural prediction of hypothetical proteins in monkeypox virus and identification of potential inhibitors

Recent synthetic strategies for N-arylation of pyrrolidines: a potential template for biologically active molecules

Design, synthesis and antiviral activity of indole derivatives containing quinoline moiety

PMTPred: machine-learning-based prediction of protein methyltransferases using the composition of k-spaced amino acid pairs

Virtual screening and molecular dynamics simulation of natural compounds as potential inhibitors of serine/threonine kinase 16 for anticancer drug discovery

Benzimidazole scaffold as a potent anticancer agent with different mechanisms of action (2016–2023)

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