HIV- 1 RT is an important target for the treatment of AIDS. There are two major classes of antiviral agents that inhibit HIV- 1 RT have been identified, nucleoside RT inhibitors （NRTIs） and non-nucleoside RT inhibit...HIV- 1 RT is an important target for the treatment of AIDS. There are two major classes of antiviral agents that inhibit HIV- 1 RT have been identified, nucleoside RT inhibitors （NRTIs） and non-nucleoside RT inhibitors （NNRTIs）. In this report, a noval class of non-nucleoside compound with potential RT inhibitory activity were found from the traditional Chinese medicines database （TCMD） using a combination of virtual screening, docking, molecular dynamic simulations, where results were ranked by scoring function of the docking tool. The result indicates that M4753 （a compound derived from TCMD） has not only the lowest bonding energy but also the best match in geometric conformation with the forthcoming NNRTIs. Accordingly M4753 might possibly become a promising lead compound of NNRTIs for AIDS therapy.展开更多
Background:The Ebola virus is highly pathogenic and destructive to humans and other primates.The Ebola virus encodes viral protein 40(VP40),which is highly expressed and regulates the assembly and release of viral par...Background:The Ebola virus is highly pathogenic and destructive to humans and other primates.The Ebola virus encodes viral protein 40(VP40),which is highly expressed and regulates the assembly and release of viral particles in the host cell.Because VP40 plays a prominent role in the life cycle of the Ebola virus,it is considered as a key target for antiviral treatment.However,there is currently no FDA-approved drug for treating Ebola virus infection,resulting in an urgent need to develop effective antiviral inhibitors that display good safety profiles in a short duration.Methods:This study aimed to screen the effective lead candidate against Ebola infection.First,the lead molecules were filtered based on the docking score.Second,Lipinski rule of five and the other drug likeliness properties are predicted to assess the safety profile of the lead candidates.Finally,molecular dynamics simulations was performed to validate the lead compound.Results:Our results revealed that emodin-8-beta-D-glucoside from the Traditional Chinese Medicine Database(TCMD)represents an active lead candidate that targets the Ebola virus by inhibiting the activity of VP40,and displays good pharmacokinetic properties.Conclusion:This report will considerably assist in the development of the competitive and robust antiviral agents against Ebola infection.展开更多
Objective： To make a bibliometric analysis and evaluation of acupuncture-moxibustion papers on moxibustion therapy published from 1954 to 2007, thus to reflect the diseases spectrum of moxibustion therapy and proper ...Objective： To make a bibliometric analysis and evaluation of acupuncture-moxibustion papers on moxibustion therapy published from 1954 to 2007, thus to reflect the diseases spectrum of moxibustion therapy and proper indications of moxibustion therapy objectively. Methods： Statistics were taken by a bibliometric analysis of the data from China Modern Acupuncture-moxibustion Information Databank. Results and Conclusion： The diseases spectrum of moxibustion therapy has 364 kinds of diseases. The most proper indications of moxibustion therapy are malposition, diarrhea, and colitis. The common proper indications are urinary incontinence and dysmenorrhea. The next common proper indications are knee osteoarthritis, temporomandibular joint disturbance syndrome, soft tissue injury, heel pain, asthma, urinary retention and herpes zoster. Diseases spectrum of moxibustion therapy varies with time.展开更多
Objective:To summarize the clinical application patterns in acupuncture-moxibustion treatment of AD by reviewing the clinical literatures on acupuncture-moxibustion for Alzheimer disease(AD)published between January 2...Objective:To summarize the clinical application patterns in acupuncture-moxibustion treatment of AD by reviewing the clinical literatures on acupuncture-moxibustion for Alzheimer disease(AD)published between January 2009 and December 2019.Methods:China National Knowledge Infrastructure(CNKI),Wanfang Academic Journal Full-text Database(Wanfang),Chongqing VIP Database(CQVIP),Chinese Medicine Acupuncture-moxibustion Information Database,PubMed Medical Data Retrieval Service System,Springer Database and Ovid Technologies(OVID)were retrieved to screen clinical studies of acupuncture-moxibustion treatment of AD according to the inclusion and exclusion criteria to conduct quantitative,clustering and association analyses.Results:In acupuncture-moxibustion treatment of AD,the frequently used points were Baihui(GV 20),Zusanli(ST 36),Sishencong(EX-HN 1),Taixi(KI 3),Sanyinjiao(SP 6),and Neiguan(PC 6)in the descending order.Regarding meridians,the most frequently used one was the Governor Vessel,followed by the Stomach Meridian of Foot Yangming and Gallbladder Meridian of Foot Shaoyang.From the perspective of body regions,the points in the head-face region and the lower-limb region had the highest frequencies,followed by the upper-limb,back and chest-abdomen regions.The point group,Baihui(GV 20)and Sishencong(EX-HN 1)-Neiguan(PC 6)-Sanyinjiao(SP 6),showed the most significant association,and the group winning the second place was Baihui(GV 20)and Sishencong(EX-HN 1)-Neiguan(PC 6)-Zusanli(ST 36).The clustering analysis showed that the commonly used point pairs included Zusanli(ST 36)-Sishencong(EX-HN 1)and Taixi(KI 3)-Sanyinjiao(SP 6),which were closely associated with Baihui(GV 20).By analyzing the three commonly used acupuncture-moxibustion methods,acupuncture plus medication was found achieving the best result in the total effective rate and mini-mental state examination(MMSE)score,followed by monotherapy of electroacupuncture therapy,and these two methods were superior to acupuncture alone(P<0.05);the scores of MMSE,Alzheimer disease assessment scale-cognitive section(ADAS-cog)and activity of daily living scale(ADL)showed significant improvements after treatment(all P<0.01).Conclusion:In the acupuncture-moxibustion prescriptions for AD,the main points are Baihui(GV 20),Sishencong(EX-HN 1),Neiguan(PC 6),Zusanli(ST 36),Sanyinjiao(SP 6)and Taixi(KI 3).Monotherapy of acupuncture has the highest frequency amongst the treatment methods,but its effective rate is lower than that of acupuncture plus medication and monotherapy of electroacupuncture.展开更多
Objective: To explore the clinical regularities in acupuncture-moxibustion treatment of cancer pain by reviewing the re leva nt studies published betwee n 1985 and 2017. Methods: Based on the Chinese Medicine Acupunct...Objective: To explore the clinical regularities in acupuncture-moxibustion treatment of cancer pain by reviewing the re leva nt studies published betwee n 1985 and 2017. Methods: Based on the Chinese Medicine Acupuncture-moxibustion Information Database, quantitative analysis, correlation an alysis and Chi-square test were applied to an a lyze the comm only used acupoi nts, meridia n affiliatio ns and body regi on distributi ons, comm only used methods and acupoi nt correlati ons, treatme nt method correlati ons, the efficacy of acupuncture- moxibusti on plus the three-step an algesic ladder for can cer pain, and in dicators. Results: Zusanli (ST 36), Ashi point and Sanyinjiao (SP 6) ranked the top on the list of frequency;points from Bladder Meridian of Foot Taiyang and Stomach Meridian of Foot Yangming were often used;points from the lower limbs and back had high frequencies. The most commonly used treatment method was acupuncture-moxibustion plus medication. Acupuncture-moxibusti on plus the three-step an algesic ladder showed certai n adva ntage compared with the two methods used separately, and among the integrated methods, acupoint application plus the three-step analgesic ladder produced the most significant efficacy. It took (44.77±55.54) min for the analgesic effect to act and the effect lasted for (12.81±14.59) h. Numerical rati ng scale (NRS), visual an alog scale (VAS) and Kar nofsky performa nee status (KPS) scores all showed sign ifica nt changes after interventions (all P<0.01);there was no significant change in the score of quality of life (QOL) after interventions (P>0.05). Conclusion: Zusa nli (ST 36), Ashi point and Sanyin jiao (SP 6) are comm only selected in acup un cture-moxibusti on treatment of cancer pain;acupuncture and acupoint application are often used;acupuncture-moxibustion plus the three-step an algesic ladder can boost the treatme nt efficacy.展开更多
基金supported by the grants from Chinese National Science Foundation(No.30472166)the Tianjin Commission of Sciences and Technology under the Contract(No.06YFGZSH07000)
文摘HIV- 1 RT is an important target for the treatment of AIDS. There are two major classes of antiviral agents that inhibit HIV- 1 RT have been identified, nucleoside RT inhibitors （NRTIs） and non-nucleoside RT inhibitors （NNRTIs）. In this report, a noval class of non-nucleoside compound with potential RT inhibitory activity were found from the traditional Chinese medicines database （TCMD） using a combination of virtual screening, docking, molecular dynamic simulations, where results were ranked by scoring function of the docking tool. The result indicates that M4753 （a compound derived from TCMD） has not only the lowest bonding energy but also the best match in geometric conformation with the forthcoming NNRTIs. Accordingly M4753 might possibly become a promising lead compound of NNRTIs for AIDS therapy.
基金supported by the Research Grants Council of Hong Kong[212613]Faculty Research Grant[FRG2/14-15/063].
文摘Background:The Ebola virus is highly pathogenic and destructive to humans and other primates.The Ebola virus encodes viral protein 40(VP40),which is highly expressed and regulates the assembly and release of viral particles in the host cell.Because VP40 plays a prominent role in the life cycle of the Ebola virus,it is considered as a key target for antiviral treatment.However,there is currently no FDA-approved drug for treating Ebola virus infection,resulting in an urgent need to develop effective antiviral inhibitors that display good safety profiles in a short duration.Methods:This study aimed to screen the effective lead candidate against Ebola infection.First,the lead molecules were filtered based on the docking score.Second,Lipinski rule of five and the other drug likeliness properties are predicted to assess the safety profile of the lead candidates.Finally,molecular dynamics simulations was performed to validate the lead compound.Results:Our results revealed that emodin-8-beta-D-glucoside from the Traditional Chinese Medicine Database(TCMD)represents an active lead candidate that targets the Ebola virus by inhibiting the activity of VP40,and displays good pharmacokinetic properties.Conclusion:This report will considerably assist in the development of the competitive and robust antiviral agents against Ebola infection.
基金supported by National Basic Research Program of China (973 Program, 2009CB522900)Shanghai Leading Academic Discipline Project
文摘Objective： To make a bibliometric analysis and evaluation of acupuncture-moxibustion papers on moxibustion therapy published from 1954 to 2007, thus to reflect the diseases spectrum of moxibustion therapy and proper indications of moxibustion therapy objectively. Methods： Statistics were taken by a bibliometric analysis of the data from China Modern Acupuncture-moxibustion Information Databank. Results and Conclusion： The diseases spectrum of moxibustion therapy has 364 kinds of diseases. The most proper indications of moxibustion therapy are malposition, diarrhea, and colitis. The common proper indications are urinary incontinence and dysmenorrhea. The next common proper indications are knee osteoarthritis, temporomandibular joint disturbance syndrome, soft tissue injury, heel pain, asthma, urinary retention and herpes zoster. Diseases spectrum of moxibustion therapy varies with time.
文摘Objective:To summarize the clinical application patterns in acupuncture-moxibustion treatment of AD by reviewing the clinical literatures on acupuncture-moxibustion for Alzheimer disease(AD)published between January 2009 and December 2019.Methods:China National Knowledge Infrastructure(CNKI),Wanfang Academic Journal Full-text Database(Wanfang),Chongqing VIP Database(CQVIP),Chinese Medicine Acupuncture-moxibustion Information Database,PubMed Medical Data Retrieval Service System,Springer Database and Ovid Technologies(OVID)were retrieved to screen clinical studies of acupuncture-moxibustion treatment of AD according to the inclusion and exclusion criteria to conduct quantitative,clustering and association analyses.Results:In acupuncture-moxibustion treatment of AD,the frequently used points were Baihui(GV 20),Zusanli(ST 36),Sishencong(EX-HN 1),Taixi(KI 3),Sanyinjiao(SP 6),and Neiguan(PC 6)in the descending order.Regarding meridians,the most frequently used one was the Governor Vessel,followed by the Stomach Meridian of Foot Yangming and Gallbladder Meridian of Foot Shaoyang.From the perspective of body regions,the points in the head-face region and the lower-limb region had the highest frequencies,followed by the upper-limb,back and chest-abdomen regions.The point group,Baihui(GV 20)and Sishencong(EX-HN 1)-Neiguan(PC 6)-Sanyinjiao(SP 6),showed the most significant association,and the group winning the second place was Baihui(GV 20)and Sishencong(EX-HN 1)-Neiguan(PC 6)-Zusanli(ST 36).The clustering analysis showed that the commonly used point pairs included Zusanli(ST 36)-Sishencong(EX-HN 1)and Taixi(KI 3)-Sanyinjiao(SP 6),which were closely associated with Baihui(GV 20).By analyzing the three commonly used acupuncture-moxibustion methods,acupuncture plus medication was found achieving the best result in the total effective rate and mini-mental state examination(MMSE)score,followed by monotherapy of electroacupuncture therapy,and these two methods were superior to acupuncture alone(P<0.05);the scores of MMSE,Alzheimer disease assessment scale-cognitive section(ADAS-cog)and activity of daily living scale(ADL)showed significant improvements after treatment(all P<0.01).Conclusion:In the acupuncture-moxibustion prescriptions for AD,the main points are Baihui(GV 20),Sishencong(EX-HN 1),Neiguan(PC 6),Zusanli(ST 36),Sanyinjiao(SP 6)and Taixi(KI 3).Monotherapy of acupuncture has the highest frequency amongst the treatment methods,but its effective rate is lower than that of acupuncture plus medication and monotherapy of electroacupuncture.
文摘Objective: To explore the clinical regularities in acupuncture-moxibustion treatment of cancer pain by reviewing the re leva nt studies published betwee n 1985 and 2017. Methods: Based on the Chinese Medicine Acupuncture-moxibustion Information Database, quantitative analysis, correlation an alysis and Chi-square test were applied to an a lyze the comm only used acupoi nts, meridia n affiliatio ns and body regi on distributi ons, comm only used methods and acupoi nt correlati ons, treatme nt method correlati ons, the efficacy of acupuncture- moxibusti on plus the three-step an algesic ladder for can cer pain, and in dicators. Results: Zusanli (ST 36), Ashi point and Sanyinjiao (SP 6) ranked the top on the list of frequency;points from Bladder Meridian of Foot Taiyang and Stomach Meridian of Foot Yangming were often used;points from the lower limbs and back had high frequencies. The most commonly used treatment method was acupuncture-moxibustion plus medication. Acupuncture-moxibusti on plus the three-step an algesic ladder showed certai n adva ntage compared with the two methods used separately, and among the integrated methods, acupoint application plus the three-step analgesic ladder produced the most significant efficacy. It took (44.77±55.54) min for the analgesic effect to act and the effect lasted for (12.81±14.59) h. Numerical rati ng scale (NRS), visual an alog scale (VAS) and Kar nofsky performa nee status (KPS) scores all showed sign ifica nt changes after interventions (all P<0.01);there was no significant change in the score of quality of life (QOL) after interventions (P>0.05). Conclusion: Zusa nli (ST 36), Ashi point and Sanyin jiao (SP 6) are comm only selected in acup un cture-moxibusti on treatment of cancer pain;acupuncture and acupoint application are often used;acupuncture-moxibustion plus the three-step an algesic ladder can boost the treatme nt efficacy.
