A system of structure depiction, as an extension of the wedge and hashed wedge bonds (Natta projection), and text notation is herein suggested that embodies more explicit information—or reduced over-statement as circ...A system of structure depiction, as an extension of the wedge and hashed wedge bonds (Natta projection), and text notation is herein suggested that embodies more explicit information—or reduced over-statement as circumstances warrant—on the stereochemical nature of the system at hand, in particular, for those cases where only the relative stereochemistry of a compound is known.展开更多
In the presence of tetrazole,2'-substituted nucleosidesreacted ster■os■ifi■ally with n-BuOPIN■_2H_5■_2I_2 to nucleoside 3',5'-■lopnosphites with avial n-Buo group.The stereochemistry of oxidation of...In the presence of tetrazole,2'-substituted nucleosidesreacted ster■os■ifi■ally with n-BuOPIN■_2H_5■_2I_2 to nucleoside 3',5'-■lopnosphites with avial n-Buo group.The stereochemistry of oxidation of■y■lophosphite was investigated.展开更多
Diacholest-13(17)-ene ozonide(1a andlb) and 4, 4-dimethyldiacholest-13 (17)-eneozonides(2a and 2b) underwent pyrolysis to afford the coressponding 17-oxo-13,14;13,17- dis14-lactones (3a and 3b)and 4.4-dimethyl-17-ox...Diacholest-13(17)-ene ozonide(1a andlb) and 4, 4-dimethyldiacholest-13 (17)-eneozonides(2a and 2b) underwent pyrolysis to afford the coressponding 17-oxo-13,14;13,17- dis14-lactones (3a and 3b)and 4.4-dimethyl-17-oxo-13,14; 13,17-disecodiacholestano-13,14-lactones(4 and 4b), respectively. The stereochemi-stry of the migratingpoups was Proven to be conserved by comparison with the Baeyer-Villiger oxidation of the corresponding 13,17-secodiacholesta-13,17-diones (5) and 4,4-dimethyl-13, 17-secodiacholesta13, 17-diones(6).展开更多
The configuration of the hydroxy acid 2, a product from base-catalyzed autoxidation of 3α,5-cyclo-5α-cholestane-6-one,was established on the basis of NMR techniques and the mechanism of the formation of 2 was discus...The configuration of the hydroxy acid 2, a product from base-catalyzed autoxidation of 3α,5-cyclo-5α-cholestane-6-one,was established on the basis of NMR techniques and the mechanism of the formation of 2 was discussed.展开更多
A solid-phase synthesis of 1α-hydroxylation of 5,6-trans-vitamin D3 8 is described.The solid phase resin acts as a special protecting group, which gives a higher stereoselectivity in oxidation step than classical pro...A solid-phase synthesis of 1α-hydroxylation of 5,6-trans-vitamin D3 8 is described.The solid phase resin acts as a special protecting group, which gives a higher stereoselectivity in oxidation step than classical protecting groups. The stereochemistry control is favored by using high crosslinkage polymer support in a poor solvent. This work may be of benefit to the synthesis of vitamin D system.展开更多
Tricyclic compound 6 was synthesized form compound 1 through sis steps, thus preblem of the stereochemistry of C2α-H being solved. The stereochemistry for introducing hydroxy groups at C3β and C4α positions in com...Tricyclic compound 6 was synthesized form compound 1 through sis steps, thus preblem of the stereochemistry of C2α-H being solved. The stereochemistry for introducing hydroxy groups at C3β and C4α positions in compound 1 was also described.展开更多
Relative and absolute stereochemistry for hyperforin has been proposed by Brondz et al. was supported and new isomer of hyperforin-perforatrin has been discovered. Relative and absolute stereochemistry for perforatrin...Relative and absolute stereochemistry for hyperforin has been proposed by Brondz et al. was supported and new isomer of hyperforin-perforatrin has been discovered. Relative and absolute stereochemistry for perforatrin was proposed and elucidated by using gas-chromatography mass-spectrometry with supersonic molecular beams (SMB). The possibility of the existence of ambiguities in chirality as a hypothesis for the existence, and a new understanding, of chiral substances with shifting chirality is presented.展开更多
This short communication is an overview and revision of previous published papers about the relative and absolute stereochemistry of hyperforin and discovery of a new isomer of hyperforin that has been named perforatrin.
Inverted perovskite solar cells(PSCs) have attracted broad research and industrial interest owing to their suppressed hysteresis,cost-effectiveness,and easy-fabrication.However,the issue of non-radiative recombination...Inverted perovskite solar cells(PSCs) have attracted broad research and industrial interest owing to their suppressed hysteresis,cost-effectiveness,and easy-fabrication.However,the issue of non-radiative recombination losses at the n-type interface between the perovskite and fullerene has impeded further improvement of photovoltaic performance.Here,we modify the n-type interface of FAPbI_(3) perovskite films by constructing a stereochemical two-dimensional(2D) perovskite interlayer,in which the organic cations comprise both pyridine and ammonium groups.The pyridine N donor can create stable bonding with the surface-uncoordinated Pb on the perovskite,thereby passivating the shallow-level defects and enhancing the air stability of the film.Furthermore,the pyridine N donor also offers a positive polar interface to decrease the surface work function of the perovskite film,enabling n-type modification.Ultimately,we employ a p-i-n photovoltaic(PV) device with the positive dipole interlayer at perovskite/fullerene contact and achieve remarkable photoelectric conversion efficiency(PCE) of 22.0%.展开更多
A detailed chemical investigation of the South China Sea nudibranch Hexabranchus sanguineus,as well as its possible sponge-prey Acanthella cavernosa,led to the isolation of fifteen new nitrogenous sesquiterpenoids,nam...A detailed chemical investigation of the South China Sea nudibranch Hexabranchus sanguineus,as well as its possible sponge-prey Acanthella cavernosa,led to the isolation of fifteen new nitrogenous sesquiterpenoids,namely ximaocavernosins A-0,including seven cadinanes(1-7),seven spiroaxanes(12-18)and one aromadendrane(19),together with thirteen known related compounds(8-11 and 20-28).展开更多
Five novel biscembranoids,ximaolides H-L(1-5),along with four known related compounds(6-9) were isolated from the Hainan soft coral Sarcophyton tortuosum.The structures of the new compounds were determined by extensiv...Five novel biscembranoids,ximaolides H-L(1-5),along with four known related compounds(6-9) were isolated from the Hainan soft coral Sarcophyton tortuosum.The structures of the new compounds were determined by extensive spectroscopic analysis,quantum chemical calculations,and/or by comparing their CD spectra with those of the known compounds.Compounds 1 and 2 are the first examples of biscembranoids bearing a 1,35-bridged lactone moiety,4 is the first biscembranoid comprising an uncommon oxetane ring,and 5 represents the first 36-peroxyl biscembranoid.Ximaolides Ⅰ(2),K(4) and F(9) exhibited interesting anti-inflammatory activity by the inhibition of LPS-induced TNF-α protein release in RAW264.7 macrophages.展开更多
Suberogorgin(S), a new reversible anticholinesterase agent, is a tricyclopentapentalane sesquiterpene acid with a rare novel structure. It is important for the exploration of the relationships between its structure ...Suberogorgin(S), a new reversible anticholinesterase agent, is a tricyclopentapentalane sesquiterpene acid with a rare novel structure. It is important for the exploration of the relationships between its structure and bioactivities and for the development of terpene chemistry to study its structural characteristics. This note is on using 2D NMR techniques to analyse the <sup>1</sup>H and <sup>13</sup>C NMR spectra and the stereochemistry of it.展开更多
Polyesters with cyclic structures in the main chain typically possess superior mechanical and thermal properties together with chemical recyclability.Ring-opening polymerization(ROP)of bridged or fused bicyclic lacton...Polyesters with cyclic structures in the main chain typically possess superior mechanical and thermal properties together with chemical recyclability.Ring-opening polymerization(ROP)of bridged or fused bicyclic lactones is a simple,and in most cases controlled method to synthesize polyesters with alicyclic moieties in the polymer backbone.The stereochemistry of the alicyclic structures has a great effect on the polymer properties,which can be regulated by varying the polymerization conditions.Here,we report a systematic investigation on the ROP of 2-oxabicyclo[2.2.2]octan-3-one([2.2.2]VL)under different conditions.When initiated byn-butyl lithium(n-BuLi)or catalyzed by trifluoromethanesulfonic acid(TfOH)in the presence of benzyl alcohol,P[2.2.2]VLs containing all cis^(-1),4 disubstituted cyclohexane ring were obtained.However,P[2.2.2]VLs initiated by sodium methoxide(MeONa)or catalyzed by organic superbase contained both cis and trans isomeric structural units.The cis to trans transformation mechanism under these conditions was manifested,and the effect of stereochemical variations on the properties ofP[2.2.2]VLwas revealed.The stereoregularP[2.2.2]VLs,bothcisandtrans,exhibited higher crystallinity and melting temperatures(Tm)than those of the stereoirregular isomers.Finally,the degradation of P[2.2.2]VL with acid at high temperature could recover 3-cyclohexenecarboxylic acid.展开更多
Tumescenamide A (1), isolated from Streptomyces tumescens YM23-20, consists of a cyclic depsipeptideand a side-chain 2,4-dimethylheptanoate (Dmh). Herein, we report the first total synthesis of tumescenamide A (1) and...Tumescenamide A (1), isolated from Streptomyces tumescens YM23-20, consists of a cyclic depsipeptideand a side-chain 2,4-dimethylheptanoate (Dmh). Herein, we report the first total synthesis of tumescenamide A (1) and establish its stereochemistry. The configuration of Dmh is 2S,4S and, notably, the configuration of Val is revised as D. In addition, a mild and practical method for the β-elimination of derivatives ofserine and threonine by using nano-K_(2)CO_(3) as a base was established. A highly stereoselective synthesis ofthe Dmh substructure was also developed.展开更多
The photo-S_(RN) 1 reaction of (+)-camphor and aryl halides was investigated in order to estimate the stereochemistry of the coupling step of aryl radicals with a nucleophile. The ratio of endo to exo products determi...The photo-S_(RN) 1 reaction of (+)-camphor and aryl halides was investigated in order to estimate the stereochemistry of the coupling step of aryl radicals with a nucleophile. The ratio of endo to exo products determined by ~1H NMR and CD spectra was found to be 99:1. MNDO calculations of the orbital parameters showed a favorable one-sided overlap of the enolate ion with the SOMO of aryl radical. In addition, fragmentation of (ArX)^- was found to be related to the energy of SOMO of (ArX)^-.展开更多
Aroma(volatile)compounds play important ecological functions in plants,and also contribute to the quality of plant-derived foods.Moreover,chiral aroma compounds affect their functions in plants and lead to different f...Aroma(volatile)compounds play important ecological functions in plants,and also contribute to the quality of plant-derived foods.Moreover,chiral aroma compounds affect their functions in plants and lead to different flavor quality properties.Formations of chiral aroma compounds are due to the presence of enzymes producing these compounds in plants,which are generally involved in the final biosynthetic step of the aroma compounds.Here,we review recent progress in research on the plant-derived enzymes producing chiral aroma compounds,and their changes in response to environmental factors.The chiral aroma enzymes that have been reported produce(R)-linalool,(S)-linalool,(R)-limonene,and(S)-limonene,etc.,and these enzymes are found in various plant species.We also discuss the origins of enantioselectivity in the plant-derived enzymes producing chiral aroma compounds and summarize the potential use of plants containing enzymes producing chiral aroma compounds for producing chiral flavors/fragrances.展开更多
Background:Human myxovirus resistant protein A(MxA),encoded by the myxovirus resistance 1(Mx1) gene,is an interferon(IFN)-triggered dynamin-like multi-domain GTPase involved in innate immune responses against viral in...Background:Human myxovirus resistant protein A(MxA),encoded by the myxovirus resistance 1(Mx1) gene,is an interferon(IFN)-triggered dynamin-like multi-domain GTPase involved in innate immune responses against viral infections.Recent studies suggest that MxA is associated with several human cancers and may be a tumor suppressor and a promising biomarker for IFN therapy.Mxl gene mutations in the coding region for MxA have been discovered in many types of cancer,suggesting potential biological associations between mutations in MxA protein and corresponding cancers.In this study,we performed a systematic analysis based on the crystal structures of MxA and elucidated how these mutations specifically affect the structure and therefore the function of MxA protein.Methods:Cancer-associated Mxl mutations were collected and screened from the COSMIC database.Twenty-two unique mutations that cause single amino acid alterations in the MxA protein were chosen for the analysis.Amino acid sequence alignment was performed using Clustal W to check the conservation level of mutation sites in Mx proteins and dynamins.Structural analysis of the mutants was carried out with Coot.Structural models of selected mutants were generated by the SWISS-MODEL server for comparison with the corresponding non-mutated structures.All structural figures were generated using PyMOL.Results:We analyzed the conservation level of the single-point mutation sites and mapped them on different domains of MxA.Through individual structural analysis,we found that some mutations severely affect the stability and function of MxA either by disrupting the intraVinter-molecular interactions supported by the original residues or by incurring unfavorable configuration alterations,whereas other mutations lead to gentle or no interference to the protein stability and function because of positions or polarity features.The potential clinical value of the mutations that lead to drastic influence on MxA protein is also assessed.Conclusions:Among all of the reported tumor-associated single-point mutations,seven of them notably affect the structure and function of MxA and therefore deserve more attention with respect to potential clinical applications.Our research provides an example for systematic analysis and consequence evaluation of single-point mutations on a given cancer-related protein.展开更多
文摘A system of structure depiction, as an extension of the wedge and hashed wedge bonds (Natta projection), and text notation is herein suggested that embodies more explicit information—or reduced over-statement as circumstances warrant—on the stereochemical nature of the system at hand, in particular, for those cases where only the relative stereochemistry of a compound is known.
文摘In the presence of tetrazole,2'-substituted nucleosidesreacted ster■os■ifi■ally with n-BuOPIN■_2H_5■_2I_2 to nucleoside 3',5'-■lopnosphites with avial n-Buo group.The stereochemistry of oxidation of■y■lophosphite was investigated.
文摘Diacholest-13(17)-ene ozonide(1a andlb) and 4, 4-dimethyldiacholest-13 (17)-eneozonides(2a and 2b) underwent pyrolysis to afford the coressponding 17-oxo-13,14;13,17- dis14-lactones (3a and 3b)and 4.4-dimethyl-17-oxo-13,14; 13,17-disecodiacholestano-13,14-lactones(4 and 4b), respectively. The stereochemi-stry of the migratingpoups was Proven to be conserved by comparison with the Baeyer-Villiger oxidation of the corresponding 13,17-secodiacholesta-13,17-diones (5) and 4,4-dimethyl-13, 17-secodiacholesta13, 17-diones(6).
文摘The configuration of the hydroxy acid 2, a product from base-catalyzed autoxidation of 3α,5-cyclo-5α-cholestane-6-one,was established on the basis of NMR techniques and the mechanism of the formation of 2 was discussed.
基金supported by the Major State Basic Research Development Program(Grant No.F2000078100)the National Natural Science Foundation of China(No.20172059)the Found of Chinese Academy of Sciences.
文摘A solid-phase synthesis of 1α-hydroxylation of 5,6-trans-vitamin D3 8 is described.The solid phase resin acts as a special protecting group, which gives a higher stereoselectivity in oxidation step than classical protecting groups. The stereochemistry control is favored by using high crosslinkage polymer support in a poor solvent. This work may be of benefit to the synthesis of vitamin D system.
文摘Tricyclic compound 6 was synthesized form compound 1 through sis steps, thus preblem of the stereochemistry of C2α-H being solved. The stereochemistry for introducing hydroxy groups at C3β and C4α positions in compound 1 was also described.
文摘Relative and absolute stereochemistry for hyperforin has been proposed by Brondz et al. was supported and new isomer of hyperforin-perforatrin has been discovered. Relative and absolute stereochemistry for perforatrin was proposed and elucidated by using gas-chromatography mass-spectrometry with supersonic molecular beams (SMB). The possibility of the existence of ambiguities in chirality as a hypothesis for the existence, and a new understanding, of chiral substances with shifting chirality is presented.
文摘This short communication is an overview and revision of previous published papers about the relative and absolute stereochemistry of hyperforin and discovery of a new isomer of hyperforin that has been named perforatrin.
基金financially supported by the National Ten Thousand Talent Program for Young Top-notch Talent,China,the National Natural Science Fund for Excellent Young Scholars,China(52022030)the National Natural Science Foundation of China,China(51972111,52203330)+7 种基金the Shanghai Pilot Program for Basic Research,China(22TQ1400100-5)the “Dawn”Program of Shanghai Education Commission,China(22SG28)the Shanghai Municipal Natural Science Foundation,China(22ZR1418000)the Science and Technology Innovation Plan of Shanghai Science and Technology Commission,China(22YF1410000)the Postdoctoral Research Foundation of China,China(2021M701190)the Fundamental Research Funds for the Central Universities,China(JKD01231632,JKVD1231041)the Major Science and Technology Projects of Inner Mongolia Autonomous Region,China(2021ZD0042)the Shanghai Engineering Research Center of Hierarchical Nanomaterials,China(18DZ2252400)。
文摘Inverted perovskite solar cells(PSCs) have attracted broad research and industrial interest owing to their suppressed hysteresis,cost-effectiveness,and easy-fabrication.However,the issue of non-radiative recombination losses at the n-type interface between the perovskite and fullerene has impeded further improvement of photovoltaic performance.Here,we modify the n-type interface of FAPbI_(3) perovskite films by constructing a stereochemical two-dimensional(2D) perovskite interlayer,in which the organic cations comprise both pyridine and ammonium groups.The pyridine N donor can create stable bonding with the surface-uncoordinated Pb on the perovskite,thereby passivating the shallow-level defects and enhancing the air stability of the film.Furthermore,the pyridine N donor also offers a positive polar interface to decrease the surface work function of the perovskite film,enabling n-type modification.Ultimately,we employ a p-i-n photovoltaic(PV) device with the positive dipole interlayer at perovskite/fullerene contact and achieve remarkable photoelectric conversion efficiency(PCE) of 22.0%.
基金This research work was financially supported by the National Natural Science Foundation of China(Nos.81991521,82022069,42076099)the Shanghai Rising-Star Program(No.20QA1411100)+1 种基金"Youth Innovation Promotion Association"of Chinese Academy of Sciences(No.Y202065)the SKLDR/SIMM Project(No.SIMM2103ZZ-06).
文摘A detailed chemical investigation of the South China Sea nudibranch Hexabranchus sanguineus,as well as its possible sponge-prey Acanthella cavernosa,led to the isolation of fifteen new nitrogenous sesquiterpenoids,namely ximaocavernosins A-0,including seven cadinanes(1-7),seven spiroaxanes(12-18)and one aromadendrane(19),together with thirteen known related compounds(8-11 and 20-28).
基金financially supported by the National Natural Science Foundation of China(NSFC,Nos.81991521,8202290170,42076099)the NSFC/CNRS(Centre National de la Recherche Scientifique)Joint Project(No.81811530284)+3 种基金the National Key Research and Development Program of China(No.2018YFC0310903)the SKLDR/SIMM Project(No.SIMM1903ZZ-04)the Shanghai Rising-Star Program(No.20QA1411100)SA-SIBS Scholarship Program。
文摘Five novel biscembranoids,ximaolides H-L(1-5),along with four known related compounds(6-9) were isolated from the Hainan soft coral Sarcophyton tortuosum.The structures of the new compounds were determined by extensive spectroscopic analysis,quantum chemical calculations,and/or by comparing their CD spectra with those of the known compounds.Compounds 1 and 2 are the first examples of biscembranoids bearing a 1,35-bridged lactone moiety,4 is the first biscembranoid comprising an uncommon oxetane ring,and 5 represents the first 36-peroxyl biscembranoid.Ximaolides Ⅰ(2),K(4) and F(9) exhibited interesting anti-inflammatory activity by the inhibition of LPS-induced TNF-α protein release in RAW264.7 macrophages.
基金Project supported by the National Natural Science Foundation of China.
文摘Suberogorgin(S), a new reversible anticholinesterase agent, is a tricyclopentapentalane sesquiterpene acid with a rare novel structure. It is important for the exploration of the relationships between its structure and bioactivities and for the development of terpene chemistry to study its structural characteristics. This note is on using 2D NMR techniques to analyse the <sup>1</sup>H and <sup>13</sup>C NMR spectra and the stereochemistry of it.
基金financially supported by the National Natural Science Foundation of China(Nos.21871014 and 21971005)。
文摘Polyesters with cyclic structures in the main chain typically possess superior mechanical and thermal properties together with chemical recyclability.Ring-opening polymerization(ROP)of bridged or fused bicyclic lactones is a simple,and in most cases controlled method to synthesize polyesters with alicyclic moieties in the polymer backbone.The stereochemistry of the alicyclic structures has a great effect on the polymer properties,which can be regulated by varying the polymerization conditions.Here,we report a systematic investigation on the ROP of 2-oxabicyclo[2.2.2]octan-3-one([2.2.2]VL)under different conditions.When initiated byn-butyl lithium(n-BuLi)or catalyzed by trifluoromethanesulfonic acid(TfOH)in the presence of benzyl alcohol,P[2.2.2]VLs containing all cis^(-1),4 disubstituted cyclohexane ring were obtained.However,P[2.2.2]VLs initiated by sodium methoxide(MeONa)or catalyzed by organic superbase contained both cis and trans isomeric structural units.The cis to trans transformation mechanism under these conditions was manifested,and the effect of stereochemical variations on the properties ofP[2.2.2]VLwas revealed.The stereoregularP[2.2.2]VLs,bothcisandtrans,exhibited higher crystallinity and melting temperatures(Tm)than those of the stereoirregular isomers.Finally,the degradation of P[2.2.2]VL with acid at high temperature could recover 3-cyclohexenecarboxylic acid.
基金The authors are grateful for the financial assistance received from the Basic Research Program of China(No.2010CB512007 and 2012CB723501)the National Natural Science Foundation of China(No.30472074,30873139,21978076)Hebei Provincial Natural Science Foundation of China(No.H2020208030).
文摘Tumescenamide A (1), isolated from Streptomyces tumescens YM23-20, consists of a cyclic depsipeptideand a side-chain 2,4-dimethylheptanoate (Dmh). Herein, we report the first total synthesis of tumescenamide A (1) and establish its stereochemistry. The configuration of Dmh is 2S,4S and, notably, the configuration of Val is revised as D. In addition, a mild and practical method for the β-elimination of derivatives ofserine and threonine by using nano-K_(2)CO_(3) as a base was established. A highly stereoselective synthesis ofthe Dmh substructure was also developed.
基金Project supported by the National Natural Science Foundation of China.
文摘The photo-S_(RN) 1 reaction of (+)-camphor and aryl halides was investigated in order to estimate the stereochemistry of the coupling step of aryl radicals with a nucleophile. The ratio of endo to exo products determined by ~1H NMR and CD spectra was found to be 99:1. MNDO calculations of the orbital parameters showed a favorable one-sided overlap of the enolate ion with the SOMO of aryl radical. In addition, fragmentation of (ArX)^- was found to be related to the energy of SOMO of (ArX)^-.
基金supported by the financial supports from the Guangdong Basic and Applied Basic Research Foundation(2020A1515010539)the Medical Science and Technology Research Foundation of Guangdong Province,China(A2019046)+1 种基金Guangdong Province Higher Vocational Colleges&Schools Pearl River Scholar(50117G25002)the Key Project of Universities in Guangdong Province(2021ZDZX4066).
文摘Aroma(volatile)compounds play important ecological functions in plants,and also contribute to the quality of plant-derived foods.Moreover,chiral aroma compounds affect their functions in plants and lead to different flavor quality properties.Formations of chiral aroma compounds are due to the presence of enzymes producing these compounds in plants,which are generally involved in the final biosynthetic step of the aroma compounds.Here,we review recent progress in research on the plant-derived enzymes producing chiral aroma compounds,and their changes in response to environmental factors.The chiral aroma enzymes that have been reported produce(R)-linalool,(S)-linalool,(R)-limonene,and(S)-limonene,etc.,and these enzymes are found in various plant species.We also discuss the origins of enantioselectivity in the plant-derived enzymes producing chiral aroma compounds and summarize the potential use of plants containing enzymes producing chiral aroma compounds for producing chiral flavors/fragrances.
基金supported by research grants from the National Natural Science Foundation of China(No.31200553)the National Basic Research Program of China(No.2013CB910500)+1 种基金the Program of New Century Excellent Talents in University(NCET-12-0567)the Recruitment Program for Young Professionals
文摘Background:Human myxovirus resistant protein A(MxA),encoded by the myxovirus resistance 1(Mx1) gene,is an interferon(IFN)-triggered dynamin-like multi-domain GTPase involved in innate immune responses against viral infections.Recent studies suggest that MxA is associated with several human cancers and may be a tumor suppressor and a promising biomarker for IFN therapy.Mxl gene mutations in the coding region for MxA have been discovered in many types of cancer,suggesting potential biological associations between mutations in MxA protein and corresponding cancers.In this study,we performed a systematic analysis based on the crystal structures of MxA and elucidated how these mutations specifically affect the structure and therefore the function of MxA protein.Methods:Cancer-associated Mxl mutations were collected and screened from the COSMIC database.Twenty-two unique mutations that cause single amino acid alterations in the MxA protein were chosen for the analysis.Amino acid sequence alignment was performed using Clustal W to check the conservation level of mutation sites in Mx proteins and dynamins.Structural analysis of the mutants was carried out with Coot.Structural models of selected mutants were generated by the SWISS-MODEL server for comparison with the corresponding non-mutated structures.All structural figures were generated using PyMOL.Results:We analyzed the conservation level of the single-point mutation sites and mapped them on different domains of MxA.Through individual structural analysis,we found that some mutations severely affect the stability and function of MxA either by disrupting the intraVinter-molecular interactions supported by the original residues or by incurring unfavorable configuration alterations,whereas other mutations lead to gentle or no interference to the protein stability and function because of positions or polarity features.The potential clinical value of the mutations that lead to drastic influence on MxA protein is also assessed.Conclusions:Among all of the reported tumor-associated single-point mutations,seven of them notably affect the structure and function of MxA and therefore deserve more attention with respect to potential clinical applications.Our research provides an example for systematic analysis and consequence evaluation of single-point mutations on a given cancer-related protein.